N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C17H25N5O — CID 119582229

IUPACN-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C(C)CN)nn1-c1ccccc1C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)14-8-6-7-9-15(14)22-13(4)19-16(20-22)17(23)21(5)12(3)10-18/h6-9,11-12H,10,18H2,1-5H3
InChIKeyCJACNVDWEYKJSR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.12
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 119582229) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID119582229
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C(C)CN)nn1-c1ccccc1C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)14-8-6-7-9-15(14)22-13(4)19-16(20-22)17(23)21(5)12(3)10-18/h6-9,11-12H,10,18H2,1-5H3
InChIKeyCJACNVDWEYKJSR-UHFFFAOYSA-N
XLogP2.12
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 119582229) is N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)C(C)CN)nn1-c1ccccc1C(C)C.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is CJACNVDWEYKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)14-8-6-7-9-15(14)22-13(4)19-16(20-22)17(23)21(5)12(3)10-18/h6-9,11-12H,10,18H2,1-5H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119582229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).