2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine

C10H18N4 — CID 165440577

IUPAC2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1n[nH]c(C2CCC2)n1
InChIInChI=1S/C10H18N4/c1-10(2,6-11)9-12-8(13-14-9)7-4-3-5-7/h7H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyKNLSMVKBKJLXCJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.31
Rot. Bonds3

About 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine

2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine (PubChem CID 165440577) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
PubChem CID165440577
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1n[nH]c(C2CCC2)n1
InChIInChI=1S/C10H18N4/c1-10(2,6-11)9-12-8(13-14-9)7-4-3-5-7/h7H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyKNLSMVKBKJLXCJ-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine (CID 165440577) is 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine is CC(C)(CN)c1n[nH]c(C2CCC2)n1.
What is the InChIKey of 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The InChIKey is KNLSMVKBKJLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,6-11)9-12-8(13-14-9)7-4-3-5-7/h7H,3-6,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 165440577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).