4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide

C13H15N5O — CID 114389488

IUPAC4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide
SMILESCCCNc1ccc(C(=O)Nc2nccnn2)cc1
InChIInChI=1S/C13H15N5O/c1-2-7-14-11-5-3-10(4-6-11)12(19)17-13-15-8-9-16-18-13/h3-6,8-9,14H,2,7H2,1H3,(H,15,17,18,19)
InChIKeyDYJRMRUMZGXGGQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.95
Rot. Bonds5

About 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide

4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114389488) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114389488
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide
SMILESCCCNc1ccc(C(=O)Nc2nccnn2)cc1
InChIInChI=1S/C13H15N5O/c1-2-7-14-11-5-3-10(4-6-11)12(19)17-13-15-8-9-16-18-13/h3-6,8-9,14H,2,7H2,1H3,(H,15,17,18,19)
InChIKeyDYJRMRUMZGXGGQ-UHFFFAOYSA-N
XLogP1.95
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
4-cyano-N-(1,2,4-triazin-3-yl)benzamide
CID 113242350
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
1-[4-(propylamino)phenyl]ethanone
CID 7304598
3-amino-4-ethoxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114386749
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide
CID 62166423
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389040
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
CID 114387361

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide (CID 114389488) is 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide is CCCNc1ccc(C(=O)Nc2nccnn2)cc1.
What is the InChIKey of 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is DYJRMRUMZGXGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-7-14-11-5-3-10(4-6-11)12(19)17-13-15-8-9-16-18-13/h3-6,8-9,14H,2,7H2,1H3,(H,15,17,18,19).
What are the key properties of 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide?
4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 257.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114389488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).