2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

C12H24N4 — CID 107888076

IUPAC2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCCCC(C)n1cnc(CNC(C)(C)C)n1
InChIInChI=1S/C12H24N4/c1-6-7-10(2)16-9-13-11(15-16)8-14-12(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyIGJYRHUIIOCZOT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 107888076) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID107888076
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCCCC(C)n1cnc(CNC(C)(C)C)n1
InChIInChI=1S/C12H24N4/c1-6-7-10(2)16-9-13-11(15-16)8-14-12(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyIGJYRHUIIOCZOT-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 107888076) is 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is CCCC(C)n1cnc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is IGJYRHUIIOCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-7-10(2)16-9-13-11(15-16)8-14-12(3,4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 107888076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).