1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide

C11H18N6O2 — CID 77046330

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCc2ncn[nH]2)CCCC1
InChIInChI=1S/C11H18N6O2/c12-9(17-19)11(4-1-2-5-11)10(18)13-6-3-8-14-7-15-16-8/h7,19H,1-6H2,(H2,12,17)(H,13,18)(H,14,15,16)
InChIKeyHMVUMUNYGFOHDP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.23
Rot. Bonds5

About 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 77046330) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID77046330
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCc2ncn[nH]2)CCCC1
InChIInChI=1S/C11H18N6O2/c12-9(17-19)11(4-1-2-5-11)10(18)13-6-3-8-14-7-15-16-8/h7,19H,1-6H2,(H2,12,17)(H,13,18)(H,14,15,16)
InChIKeyHMVUMUNYGFOHDP-UHFFFAOYSA-N
XLogP-0.23
TPSA129.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 77046411
1-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 77020373
1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 64531164
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80593805
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopentane-1-carboxamide
CID 79001381
2-[1-(aminomethyl)cyclohexyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 104678292
N-[2-(furan-2-yl)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921509
N-(3-amino-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920303
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 80593904
1-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 64545613

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide (CID 77046330) is 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide is NC(=NO)C1(C(=O)NCCc2ncn[nH]2)CCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is HMVUMUNYGFOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c12-9(17-19)11(4-1-2-5-11)10(18)13-6-3-8-14-7-15-16-8/h7,19H,1-6H2,(H2,12,17)(H,13,18)(H,14,15,16).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 77046330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).