1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole

C10H18N6 — CID 158515637

IUPAC1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole
SMILESCc1nc(C)n(C)n1.Cc1nnn(C)c1C
InChIInChI=1S/2C5H9N3/c1-4-6-5(2)8(3)7-4;1-4-5(2)8(3)7-6-4/h2*1-3H3
InChIKeyHLPAFVUMNKBWKD-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.86
Rot. Bonds

About 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole

1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole (PubChem CID 158515637) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole.

Molecular Properties

Compound Name1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole
PubChem CID158515637
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole
SMILESCc1nc(C)n(C)n1.Cc1nnn(C)c1C
InChIInChI=1S/2C5H9N3/c1-4-6-5(2)8(3)7-4;1-4-5(2)8(3)7-6-4/h2*1-3H3
InChIKeyHLPAFVUMNKBWKD-UHFFFAOYSA-N
XLogP0.86
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole?
The IUPAC name of 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole (CID 158515637) is 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole.
What is the SMILES notation for 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole?
The canonical SMILES for 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole is Cc1nc(C)n(C)n1.Cc1nnn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole?
The InChIKey is HLPAFVUMNKBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N3/c1-4-6-5(2)8(3)7-4;1-4-5(2)8(3)7-6-4/h2*1-3H3.
What are the key properties of 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole?
1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole has a molecular weight of 222.30 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole is sourced from PubChem (CID 158515637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).