5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C9H16N4 — CID 103162629

IUPAC5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(CC2CCC2)n1C
InChIInChI=1S/C9H16N4/c1-10-9-12-11-8(13(9)2)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyLHZMGXVSNKJWPA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.20
Rot. Bonds3

About 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 103162629) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID103162629
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(CC2CCC2)n1C
InChIInChI=1S/C9H16N4/c1-10-9-12-11-8(13(9)2)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyLHZMGXVSNKJWPA-UHFFFAOYSA-N
XLogP1.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 103162629) is 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(CC2CCC2)n1C.
What is the InChIKey of 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is LHZMGXVSNKJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-10-9-12-11-8(13(9)2)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103162629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).