5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C14H19N5O — CID 64523200

IUPAC5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C14H19N5O/c1-3-6-15-12-5-4-10(2)7-11(12)14(20)16-8-13-17-9-18-19-13/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFFILVAMNLSREIW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.87
Rot. Bonds6

About 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64523200) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64523200
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C14H19N5O/c1-3-6-15-12-5-4-10(2)7-11(12)14(20)16-8-13-17-9-18-19-13/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFFILVAMNLSREIW-UHFFFAOYSA-N
XLogP1.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 62510534
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883628
5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589993
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81233813
5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
CID 63962306
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778
5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64523585

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64523200) is 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CCCNc1ccc(C)cc1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is FFILVAMNLSREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-6-15-12-5-4-10(2)7-11(12)14(20)16-8-13-17-9-18-19-13/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64523200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).