ethane;ethene;4-methyl-2H-triazole

C9H21N3 — CID 143611255

IUPACethane;ethene;4-methyl-2H-triazole
SMILESC=C.CC.CC.Cc1cn[nH]n1
InChIInChI=1S/C3H5N3.2C2H6.C2H4/c1-3-2-4-6-5-3;3*1-2/h2H,1H3,(H,4,5,6);2*1-2H3;1-2H2
InChIKeyQZMODBBKDPWVQW-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.97
Rot. Bonds

About ethane;ethene;4-methyl-2H-triazole

ethane;ethene;4-methyl-2H-triazole (PubChem CID 143611255) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is ethane;ethene;4-methyl-2H-triazole.

Molecular Properties

Compound Nameethane;ethene;4-methyl-2H-triazole
PubChem CID143611255
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Nameethane;ethene;4-methyl-2H-triazole
SMILESC=C.CC.CC.Cc1cn[nH]n1
InChIInChI=1S/C3H5N3.2C2H6.C2H4/c1-3-2-4-6-5-3;3*1-2/h2H,1H3,(H,4,5,6);2*1-2H3;1-2H2
InChIKeyQZMODBBKDPWVQW-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;ethene;4-methyl-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1H-1,2,3-triazole
CID 12933420
2,4-Dimethyl-2H-1,2,3-triazole
CID 13610389
4-ethyl-2H-1,2,3-Triazole
CID 14794987
3-Amino-5-methyltriazole
CID 18688999
trimethyl(2H-triazol-4-ylmethyl)silane
CID 125493843
4-(fluoromethyl)-2H-triazole
CID 69108101
ethane;4-(trifluoromethyl)-2H-triazole
CID 177142092
Propynyltriazole
CID 129738943
3-Methyl butynyl triazole
CID 129855642
5-Butynyl triazole
CID 129855679
4-Ethyltriazol-1-amine
CID 18689000
5-Methyl-1H-1,2,3-triazol-1-amine
CID 21783394

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-methyl-2H-triazole?
The IUPAC name of ethane;ethene;4-methyl-2H-triazole (CID 143611255) is ethane;ethene;4-methyl-2H-triazole.
What is the SMILES notation for ethane;ethene;4-methyl-2H-triazole?
The canonical SMILES for ethane;ethene;4-methyl-2H-triazole is C=C.CC.CC.Cc1cn[nH]n1.
What is the InChIKey of ethane;ethene;4-methyl-2H-triazole?
The InChIKey is QZMODBBKDPWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.2C2H6.C2H4/c1-3-2-4-6-5-3;3*1-2/h2H,1H3,(H,4,5,6);2*1-2H3;1-2H2.
What are the key properties of ethane;ethene;4-methyl-2H-triazole?
ethane;ethene;4-methyl-2H-triazole has a molecular weight of 171.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-methyl-2H-triazole is sourced from PubChem (CID 143611255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).