1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide

C14H18N6O — CID 119312969

IUPAC1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1
InChIInChI=1S/C14H18N6O/c15-14(8-2-1-3-9-14)13(21)16-11-6-4-10(5-7-11)12-17-19-20-18-12/h4-7H,1-3,8-9,15H2,(H,16,21)(H,17,18,19,20)
InChIKeyFKJFQFXVFGWVIP-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.47
Rot. Bonds3

About 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119312969) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119312969
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1
InChIInChI=1S/C14H18N6O/c15-14(8-2-1-3-9-14)13(21)16-11-6-4-10(5-7-11)12-17-19-20-18-12/h4-7H,1-3,8-9,15H2,(H,16,21)(H,17,18,19,20)
InChIKeyFKJFQFXVFGWVIP-UHFFFAOYSA-N
XLogP1.47
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119311512
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CID 113397756
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
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1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CID 119312724
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
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N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide (CID 119312969) is 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is FKJFQFXVFGWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-14(8-2-1-3-9-14)13(21)16-11-6-4-10(5-7-11)12-17-19-20-18-12/h4-7H,1-3,8-9,15H2,(H,16,21)(H,17,18,19,20).
What are the key properties of 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119312969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).