1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide

C10H17N7O2 — CID 76927231

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCc2nn[nH]n2)CCCCC1
InChIInChI=1S/C10H17N7O2/c11-8(15-19)10(4-2-1-3-5-10)9(18)12-6-7-13-16-17-14-7/h19H,1-6H2,(H2,11,15)(H,12,18)(H,13,14,16,17)
InChIKeyHVCFTDOALSXOOR-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.49
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 76927231) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide
PubChem CID76927231
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCc2nn[nH]n2)CCCCC1
InChIInChI=1S/C10H17N7O2/c11-8(15-19)10(4-2-1-3-5-10)9(18)12-6-7-13-16-17-14-7/h19H,1-6H2,(H2,11,15)(H,12,18)(H,13,14,16,17)
InChIKeyHVCFTDOALSXOOR-UHFFFAOYSA-N
XLogP-0.49
TPSA142.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(1H-imidazol-5-ylmethyl)cycloheptane-1-carboxamide
CID 77075409
N-[(4-fluorophenyl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919837
N-benzyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920758
2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 64677423
N-[(4-bromophenyl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76919332
1-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 106421900
1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 80593904
1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 76921358
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 76980113
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 76936040
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]cycloheptane-1-carboxamide
CID 76928237
N-(3-amino-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920303

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide (CID 76927231) is 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide is NC(=NO)C1(C(=O)NCc2nn[nH]n2)CCCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is HVCFTDOALSXOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c11-8(15-19)10(4-2-1-3-5-10)9(18)12-6-7-13-16-17-14-7/h19H,1-6H2,(H2,11,15)(H,12,18)(H,13,14,16,17).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 76927231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).