N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide

C10H11N5O — CID 6623447

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESNc1n[nH]c(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C10H11N5O/c11-10-13-8(14-15-10)6-12-9(16)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyIELRWQHVUYEFSM-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.32
Rot. Bonds3

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 6623447) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID6623447
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESNc1n[nH]c(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C10H11N5O/c11-10-13-8(14-15-10)6-12-9(16)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyIELRWQHVUYEFSM-UHFFFAOYSA-N
XLogP0.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzamido-5-phenyl-1,2,4-triazole
CID 570244
2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1237189
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 66674351
N-hydroxy-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 155534255
N-[2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-propyl]-benzamide
CID 6499834
3-amino-N-[(2S)-1-[[(2S)-1-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44280768
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340663
4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340641
3,4-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 3232163
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 40111127
1-(4-Fluorobenzoyl)-3-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192180
1-(2-Fluorobenzoyl)-3-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192183

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 6623447) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide is Nc1n[nH]c(CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is IELRWQHVUYEFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-10-13-8(14-15-10)6-12-9(16)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H3,11,13,14,15).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 217.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 6623447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).