ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole

C76H133N21 — CID 159303107

IUPACethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cn1ccnn1
InChIInChI=1S/3C6H7N.6C5H6N2.2C3H5N3.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-3-2-4-5-6;1-3-2-4-6-5-3;11*1-2/h3*2-5H,1H3;6*2-4H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);11*1-2H3
InChIKeyLBOSUFLIHIQGCN-UHFFFAOYSA-N
MW1341.05 g/mol
LogP20.10
Rot. Bonds

About ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole

ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole (PubChem CID 159303107) has the molecular formula C76H133N21 and a molecular weight of 1341.05 g/mol. Its IUPAC name is ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole.

Molecular Properties

Compound Nameethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole
PubChem CID159303107
Molecular FormulaC76H133N21
Molecular Weight1341.05 g/mol
Exact Mass1340.11
IUPAC Nameethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cn1ccnn1
InChIInChI=1S/3C6H7N.6C5H6N2.2C3H5N3.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-3-2-4-5-6;1-3-2-4-6-5-3;11*1-2/h3*2-5H,1H3;6*2-4H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);11*1-2H3
InChIKeyLBOSUFLIHIQGCN-UHFFFAOYSA-N
XLogP20.10
TPSA265.63 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.05
LogP ≤ 520.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole with MolForge

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Launch Full Analysis

Related Compounds

Adipiplon
CID 11198924
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
3-(1-Ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
CID 25192363
N-piperidin-4-yl-6-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448970
6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44448973
4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49840036
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine
CID 62706154
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-2-amine
CID 62706155
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706156
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-4-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706312
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706313
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methylpyrimidin-5-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706314

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole?
The IUPAC name of ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole (CID 159303107) is ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole.
What is the SMILES notation for ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole?
The canonical SMILES for ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cn1ccnn1.
What is the InChIKey of ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole?
The InChIKey is LBOSUFLIHIQGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.6C5H6N2.2C3H5N3.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-3-2-4-5-6;1-3-2-4-6-5-3;11*1-2/h3*2-5H,1H3;6*2-4H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);11*1-2H3.
What are the key properties of ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole?
ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole has a molecular weight of 1341.05 g/mol, XLogP of 20.10, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltriazole;4-methyl-2H-triazole is sourced from PubChem (CID 159303107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).