3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride

C16H27ClN6O2 — CID 119762717

About 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119762717) has the molecular formula C16H27ClN6O2 and a molecular weight of 370.89 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
• PubChem CID: 119762717
• Molecular Formula: C16H27ClN6O2
• Molecular Weight: 370.89 g/mol
• Exact Mass: 370.19
• IUPAC Name: 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
• SMILES: Cl.NC1CCC(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C1
• InChI: InChI=1S/C16H26N6O2.ClH/c17-13-6-5-12(9-13)15(24)19-16-18-11-22(20-16)10-14(23)21-7-3-1-2-4-8-21;/h11-13H,1-10,17H2,(H,19,20,24);1H
• InChIKey: BCSWHANJQOAPAB-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.89
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?

The IUPAC name of 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119762717) is 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.

What is the SMILES notation for 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?

The canonical SMILES for 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C1.

What is the InChIKey of 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?

The InChIKey is BCSWHANJQOAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2.ClH/c17-13-6-5-12(9-13)15(24)19-16-18-11-22(20-16)10-14(23)21-7-3-1-2-4-8-21;/h11-13H,1-10,17H2,(H,19,20,24);1H.

What are the key properties of 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?

3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 370.89 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119762717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).