2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide

C17H25N5O — CID 74243884

IUPAC2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nc(N(C)C)n[nH]1)C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)22(12(3)4)16(23)14-10-8-7-9-13(14)15-18-17(20-19-15)21(5)6/h7-12H,1-6H3,(H,18,19,20)
InChIKeyAJTGRLNGAVJSEO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.80
Rot. Bonds5

About 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide

2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide (PubChem CID 74243884) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide
PubChem CID74243884
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nc(N(C)C)n[nH]1)C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)22(12(3)4)16(23)14-10-8-7-9-13(14)15-18-17(20-19-15)21(5)6/h7-12H,1-6H3,(H,18,19,20)
InChIKeyAJTGRLNGAVJSEO-UHFFFAOYSA-N
XLogP2.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
N,N-di(propan-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 72868876
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-di(propan-2-yl)benzamide
CID 72890881
2-(6-amino-5-methyl-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
CID 122560179
2-[3-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]acetic acid
CID 122558233
2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 101159147
4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid
CID 122569219
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
CID 11728975
6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 122571829

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide (CID 74243884) is 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1nc(N(C)C)n[nH]1)C(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is AJTGRLNGAVJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)22(12(3)4)16(23)14-10-8-7-9-13(14)15-18-17(20-19-15)21(5)6/h7-12H,1-6H3,(H,18,19,20).
What are the key properties of 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide?
2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 74243884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).