1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole

C8H12N6 — CID 168909727

IUPAC1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
SMILESCC(C)n1cc(Cn2cncn2)nn1
InChIInChI=1S/C8H12N6/c1-7(2)14-4-8(11-12-14)3-13-6-9-5-10-13/h4-7H,3H2,1-2H3
InChIKeyDMKBFNVXVYVEHN-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.50
Rot. Bonds3

About 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole

1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole (PubChem CID 168909727) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole.

Molecular Properties

Compound Name1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
PubChem CID168909727
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
SMILESCC(C)n1cc(Cn2cncn2)nn1
InChIInChI=1S/C8H12N6/c1-7(2)14-4-8(11-12-14)3-13-6-9-5-10-13/h4-7H,3H2,1-2H3
InChIKeyDMKBFNVXVYVEHN-UHFFFAOYSA-N
XLogP0.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)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

3,4-Dimethyl-5-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 18726637
1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
4-Ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 69248459
4-Ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 69250857
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
4-(Imidazol-1-ylmethyl)-2-methyltriazole
CID 130588259
4-(imidazol-1-ylmethyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]triazole
CID 134546336
2-[4-(Tetrazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 141530368
3,4-Dimethyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 141879712
1-Methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole
CID 146244591

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole?
The IUPAC name of 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole (CID 168909727) is 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole.
What is the SMILES notation for 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole?
The canonical SMILES for 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole is CC(C)n1cc(Cn2cncn2)nn1.
What is the InChIKey of 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole?
The InChIKey is DMKBFNVXVYVEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-7(2)14-4-8(11-12-14)3-13-6-9-5-10-13/h4-7H,3H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole?
1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole has a molecular weight of 192.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole is sourced from PubChem (CID 168909727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).