N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine

C13H22N4 — CID 55111193

IUPACN-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine
SMILESCn1nc(C2CCCC2)nc1CNCC1CC1
InChIInChI=1S/C13H22N4/c1-17-12(9-14-8-10-6-7-10)15-13(16-17)11-4-2-3-5-11/h10-11,14H,2-9H2,1H3
InChIKeyUFAKFXOJKYAOKB-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.97
Rot. Bonds5

About N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine

N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine (PubChem CID 55111193) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine
PubChem CID55111193
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine
SMILESCn1nc(C2CCCC2)nc1CNCC1CC1
InChIInChI=1S/C13H22N4/c1-17-12(9-14-8-10-6-7-10)15-13(16-17)11-4-2-3-5-11/h10-11,14H,2-9H2,1H3
InChIKeyUFAKFXOJKYAOKB-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine (CID 55111193) is N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine is Cn1nc(C2CCCC2)nc1CNCC1CC1.
What is the InChIKey of N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine?
The InChIKey is UFAKFXOJKYAOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17-12(9-14-8-10-6-7-10)15-13(16-17)11-4-2-3-5-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine?
N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 55111193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).