4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide

C11H13N5O — CID 30866056

IUPAC4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C11H13N5O/c1-16(2)9-5-3-8(4-6-9)10(17)14-11-12-7-13-15-11/h3-7H,1-2H3,(H2,12,13,14,15,17)
InChIKeyDHOZKJGNBNDIIY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.12
Rot. Bonds3

About 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide

4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30866056) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30866056
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C11H13N5O/c1-16(2)9-5-3-8(4-6-9)10(17)14-11-12-7-13-15-11/h3-7H,1-2H3,(H2,12,13,14,15,17)
InChIKeyDHOZKJGNBNDIIY-UHFFFAOYSA-N
XLogP1.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
CID 60722966
3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
CID 110469115
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 115659809
3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 4318610
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-bromo-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phenyl]benzamide
CID 60506877
1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-ylcarbamoylamino)phenyl]urea
CID 4577270
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30866056) is 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide is CN(C)c1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is DHOZKJGNBNDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16(2)9-5-3-8(4-6-9)10(17)14-11-12-7-13-15-11/h3-7H,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30866056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).