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

C12H24N4 — CID 115825202

IUPAC4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCC(C)CC(CN)c1nc(C(C)C)nn1C
InChIInChI=1S/C12H24N4/c1-8(2)6-10(7-13)12-14-11(9(3)4)15-16(12)5/h8-10H,6-7,13H2,1-5H3
InChIKeyRIAOKVNQSYVLNE-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.03
Rot. Bonds5

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

4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 115825202) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID115825202
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCC(C)CC(CN)c1nc(C(C)C)nn1C
InChIInChI=1S/C12H24N4/c1-8(2)6-10(7-13)12-14-11(9(3)4)15-16(12)5/h8-10H,6-7,13H2,1-5H3
InChIKeyRIAOKVNQSYVLNE-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (CID 115825202) is 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is CC(C)CC(CN)c1nc(C(C)C)nn1C.
What is the InChIKey of 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is RIAOKVNQSYVLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-8(2)6-10(7-13)12-14-11(9(3)4)15-16(12)5/h8-10H,6-7,13H2,1-5H3.
What are the key properties of 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 115825202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).