N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide

C16H21N5O — CID 119574287

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cn(Cc2ccccc2)nn1)C1CC1
InChIInChI=1S/C16H21N5O/c1-16(11-17,13-7-8-13)18-15(22)14-10-21(20-19-14)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11,17H2,1H3,(H,18,22)
InChIKeyQYWQIDCNYVRNLE-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.18
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide (PubChem CID 119574287) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
PubChem CID119574287
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cn(Cc2ccccc2)nn1)C1CC1
InChIInChI=1S/C16H21N5O/c1-16(11-17,13-7-8-13)18-15(22)14-10-21(20-19-14)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11,17H2,1H3,(H,18,22)
InChIKeyQYWQIDCNYVRNLE-UHFFFAOYSA-N
XLogP1.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119573875
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 119572533
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
1-benzyltriazole-4-carbonyl chloride
CID 87720228
(1S,2S,3S,4S)-3-[(1-benzyltriazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233009
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide (CID 119574287) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide is CC(CN)(NC(=O)c1cn(Cc2ccccc2)nn1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide?
The InChIKey is QYWQIDCNYVRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-16(11-17,13-7-8-13)18-15(22)14-10-21(20-19-14)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11,17H2,1H3,(H,18,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide is sourced from PubChem (CID 119574287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).