2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine

C7H14N4 — CID 61317528

IUPAC2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine
SMILESCC(C)CNCc1cn[nH]n1
InChIInChI=1S/C7H14N4/c1-6(2)3-8-4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyOVYJFLKSSYXZOT-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.55
Rot. Bonds4

About 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine

2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine (PubChem CID 61317528) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine
PubChem CID61317528
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine
SMILESCC(C)CNCc1cn[nH]n1
InChIInChI=1S/C7H14N4/c1-6(2)3-8-4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyOVYJFLKSSYXZOT-UHFFFAOYSA-N
XLogP0.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine (CID 61317528) is 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine is CC(C)CNCc1cn[nH]n1.
What is the InChIKey of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine?
The InChIKey is OVYJFLKSSYXZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6(2)3-8-4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine?
2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 61317528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).