1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride

C13H18ClN5O — CID 119280142

IUPAC1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3n[nH]nc3c2)CCCCC1
InChIInChI=1S/C13H17N5O.ClH/c14-13(6-2-1-3-7-13)12(19)15-9-4-5-10-11(8-9)17-18-16-10;/h4-5,8H,1-3,6-7,14H2,(H,15,19)(H,16,17,18);1H
InChIKeyXSAUDIJGAKSOIM-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.98
Rot. Bonds2

About 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119280142) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119280142
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3n[nH]nc3c2)CCCCC1
InChIInChI=1S/C13H17N5O.ClH/c14-13(6-2-1-3-7-13)12(19)15-9-4-5-10-11(8-9)17-18-16-10;/h4-5,8H,1-3,6-7,14H2,(H,15,19)(H,16,17,18);1H
InChIKeyXSAUDIJGAKSOIM-UHFFFAOYSA-N
XLogP1.98
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119261942
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
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1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
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CID 119281111
1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119312969
1-amino-N-(1H-indazol-6-yl)cyclohexane-1-carboxamide
CID 43710790
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
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3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119280142) is 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc3n[nH]nc3c2)CCCCC1.
What is the InChIKey of 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XSAUDIJGAKSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c14-13(6-2-1-3-7-13)12(19)15-9-4-5-10-11(8-9)17-18-16-10;/h4-5,8H,1-3,6-7,14H2,(H,15,19)(H,16,17,18);1H.
What are the key properties of 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119280142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).