2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C12H15N5O — CID 106283174

IUPAC2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCNc1ccccc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C12H15N5O/c1-8(11-14-7-15-17-11)16-12(18)9-5-3-4-6-10(9)13-2/h3-8,13H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyWZHYRNIVEDRHPS-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.34
Rot. Bonds4

About 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 106283174) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID106283174
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCNc1ccccc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C12H15N5O/c1-8(11-14-7-15-17-11)16-12(18)9-5-3-4-6-10(9)13-2/h3-8,13H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyWZHYRNIVEDRHPS-UHFFFAOYSA-N
XLogP1.34
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283670
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-methyl-3-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716396
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283519

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 106283174) is 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CNc1ccccc1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is WZHYRNIVEDRHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(11-14-7-15-17-11)16-12(18)9-5-3-4-6-10(9)13-2/h3-8,13H,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 106283174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).