ethane;1-methyl-4-propyltriazole

C8H17N3 — CID 168923376

IUPACethane;1-methyl-4-propyltriazole
SMILESCC.CCCc1cn(C)nn1
InChIInChI=1S/C6H11N3.C2H6/c1-3-4-6-5-9(2)8-7-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyOKPZYNJBJIBYQR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.79
Rot. Bonds2

About ethane;1-methyl-4-propyltriazole

ethane;1-methyl-4-propyltriazole (PubChem CID 168923376) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;1-methyl-4-propyltriazole.

Molecular Properties

Compound Nameethane;1-methyl-4-propyltriazole
PubChem CID168923376
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Nameethane;1-methyl-4-propyltriazole
SMILESCC.CCCc1cn(C)nn1
InChIInChI=1S/C6H11N3.C2H6/c1-3-4-6-5-9(2)8-7-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyOKPZYNJBJIBYQR-UHFFFAOYSA-N
XLogP1.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
4-(4-bromohexyl)-1-methyltriazole
CID 107055099
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
1-methyl-4-pent-4-ynyltriazole
CID 58281228

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propyltriazole?
The IUPAC name of ethane;1-methyl-4-propyltriazole (CID 168923376) is ethane;1-methyl-4-propyltriazole.
What is the SMILES notation for ethane;1-methyl-4-propyltriazole?
The canonical SMILES for ethane;1-methyl-4-propyltriazole is CC.CCCc1cn(C)nn1.
What is the InChIKey of ethane;1-methyl-4-propyltriazole?
The InChIKey is OKPZYNJBJIBYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C2H6/c1-3-4-6-5-9(2)8-7-6;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propyltriazole?
ethane;1-methyl-4-propyltriazole has a molecular weight of 155.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propyltriazole is sourced from PubChem (CID 168923376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).