3-methyl-1-propan-2-yl-1,2,4-triazole

C6H11N3 — CID 20744898

IUPAC3-methyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1ncn(C(C)C)n1
InChIInChI=1S/C6H11N3/c1-5(2)9-4-7-6(3)8-9/h4-5H,1-3H3
InChIKeyMUCDLINLVSFNPQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.17
Rot. Bonds1

About 3-methyl-1-propan-2-yl-1,2,4-triazole

3-methyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 20744898) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-1,2,4-triazole
PubChem CID20744898
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-methyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1ncn(C(C)C)n1
InChIInChI=1S/C6H11N3/c1-5(2)9-4-7-6(3)8-9/h4-5H,1-3H3
InChIKeyMUCDLINLVSFNPQ-UHFFFAOYSA-N
XLogP1.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-methyl-1-propan-2-yl-1,2,4-triazole (CID 20744898) is 3-methyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-propan-2-yl-1,2,4-triazole is Cc1ncn(C(C)C)n1.
What is the InChIKey of 3-methyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is MUCDLINLVSFNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-4-7-6(3)8-9/h4-5H,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-1,2,4-triazole?
3-methyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 20744898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).