N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine

C14H20N6 — CID 146204859

IUPACN-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCC1CCCC1)c1ncnn1-c1ncccn1
InChIInChI=1S/C14H20N6/c1-11(17-9-12-5-2-3-6-12)13-18-10-19-20(13)14-15-7-4-8-16-14/h4,7-8,10-12,17H,2-3,5-6,9H2,1H3
InChIKeyPKORCEWXSHGNHY-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.90
Rot. Bonds5

About N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine

N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 146204859) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID146204859
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCC1CCCC1)c1ncnn1-c1ncccn1
InChIInChI=1S/C14H20N6/c1-11(17-9-12-5-2-3-6-12)13-18-10-19-20(13)14-15-7-4-8-16-14/h4,7-8,10-12,17H,2-3,5-6,9H2,1H3
InChIKeyPKORCEWXSHGNHY-UHFFFAOYSA-N
XLogP1.90
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 146204859) is N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine is CC(NCC1CCCC1)c1ncnn1-c1ncccn1.
What is the InChIKey of N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is PKORCEWXSHGNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11(17-9-12-5-2-3-6-12)13-18-10-19-20(13)14-15-7-4-8-16-14/h4,7-8,10-12,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine?
N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 272.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 146204859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).