5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

C11H22N4 — CID 82849099

IUPAC5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCC(C)Cn1cnnc1CCCC(C)N
InChIInChI=1S/C11H22N4/c1-9(2)7-15-8-13-14-11(15)6-4-5-10(3)12/h8-10H,4-7,12H2,1-3H3
InChIKeyXNKOMTMLUFFNCL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds6

About 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (PubChem CID 82849099) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
PubChem CID82849099
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCC(C)Cn1cnnc1CCCC(C)N
InChIInChI=1S/C11H22N4/c1-9(2)7-15-8-13-14-11(15)6-4-5-10(3)12/h8-10H,4-7,12H2,1-3H3
InChIKeyXNKOMTMLUFFNCL-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The IUPAC name of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (CID 82849099) is 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.
What is the SMILES notation for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The canonical SMILES for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is CC(C)Cn1cnnc1CCCC(C)N.
What is the InChIKey of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The InChIKey is XNKOMTMLUFFNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)7-15-8-13-14-11(15)6-4-5-10(3)12/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is sourced from PubChem (CID 82849099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).