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

C15H19N5O — CID 81486982

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cnn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H19N5O/c1-15(10-16,11-7-8-11)18-14(21)13-9-17-20(19-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,16H2,1H3,(H,18,21)
InChIKeyJHMPNEDYOPKESG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.12
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 81486982) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide
PubChem CID81486982
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cnn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H19N5O/c1-15(10-16,11-7-8-11)18-14(21)13-9-17-20(19-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,16H2,1H3,(H,18,21)
InChIKeyJHMPNEDYOPKESG-UHFFFAOYSA-N
XLogP1.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide (CID 81486982) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide is CC(CN)(NC(=O)c1cnn(-c2ccccc2)n1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is JHMPNEDYOPKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(10-16,11-7-8-11)18-14(21)13-9-17-20(19-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,16H2,1H3,(H,18,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.12, 5 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)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 81486982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).