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

C9H18N4 — CID 62447563

IUPAC2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CNC(C)C)Cn1cncn1
InChIInChI=1S/C9H18N4/c1-8(2)11-4-9(3)5-13-7-10-6-12-13/h6-9,11H,4-5H2,1-3H3
InChIKeyQCRAHHAHUFCOCE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.91
Rot. Bonds5

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

2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 62447563) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID62447563
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CNC(C)C)Cn1cncn1
InChIInChI=1S/C9H18N4/c1-8(2)11-4-9(3)5-13-7-10-6-12-13/h6-9,11H,4-5H2,1-3H3
InChIKeyQCRAHHAHUFCOCE-UHFFFAOYSA-N
XLogP0.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 62447563) is 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine is CC(CNC(C)C)Cn1cncn1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is QCRAHHAHUFCOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(2)11-4-9(3)5-13-7-10-6-12-13/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 62447563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).