2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine

C6H12N4 — CID 50986546

IUPAC2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)c1nc(N)n(C)n1
InChIInChI=1S/C6H12N4/c1-4(2)5-8-6(7)10(3)9-5/h4H,1-3H3,(H2,7,8,9)
InChIKeyVCTVUJOTOJYMIS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine

2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 50986546) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID50986546
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)c1nc(N)n(C)n1
InChIInChI=1S/C6H12N4/c1-4(2)5-8-6(7)10(3)9-5/h4H,1-3H3,(H2,7,8,9)
InChIKeyVCTVUJOTOJYMIS-UHFFFAOYSA-N
XLogP0.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine (CID 50986546) is 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine is CC(C)c1nc(N)n(C)n1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is VCTVUJOTOJYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(2)5-8-6(7)10(3)9-5/h4H,1-3H3,(H2,7,8,9).
What are the key properties of 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 50986546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).