2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine

C10H18N4 — CID 84665709

IUPAC2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1ncnn1CC1CCCC1
InChIInChI=1S/C10H18N4/c11-6-5-10-12-8-13-14(10)7-9-3-1-2-4-9/h8-9H,1-7,11H2
InChIKeyHJXZLIIFWILPKH-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.97
Rot. Bonds4

About 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine

2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 84665709) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID84665709
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1ncnn1CC1CCCC1
InChIInChI=1S/C10H18N4/c11-6-5-10-12-8-13-14(10)7-9-3-1-2-4-9/h8-9H,1-7,11H2
InChIKeyHJXZLIIFWILPKH-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine (CID 84665709) is 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine is NCCc1ncnn1CC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is HJXZLIIFWILPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-6-5-10-12-8-13-14(10)7-9-3-1-2-4-9/h8-9H,1-7,11H2.
What are the key properties of 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine?
2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 84665709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).