N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide

C12H13N5O2 — CID 62056005

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
SMILESNCc1cn(CC(=O)NC(=O)c2ccccc2)nn1
InChIInChI=1S/C12H13N5O2/c13-6-10-7-17(16-15-10)8-11(18)14-12(19)9-4-2-1-3-5-9/h1-5,7H,6,8,13H2,(H,14,18,19)
InChIKeyQUQNUUQXIGYKTC-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.31
Rot. Bonds4

About N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide

N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide (PubChem CID 62056005) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
PubChem CID62056005
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
SMILESNCc1cn(CC(=O)NC(=O)c2ccccc2)nn1
InChIInChI=1S/C12H13N5O2/c13-6-10-7-17(16-15-10)8-11(18)14-12(19)9-4-2-1-3-5-9/h1-5,7H,6,8,13H2,(H,14,18,19)
InChIKeyQUQNUUQXIGYKTC-UHFFFAOYSA-N
XLogP-0.31
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide
CID 106221027
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
CID 62400556
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
2-[4-(aminomethyl)triazol-1-yl]-1-(4-tert-butylphenyl)ethanone
CID 116599865
2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide
CID 166362454
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-bromobenzoic acid
CID 115459835
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide (CID 62056005) is N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide is NCc1cn(CC(=O)NC(=O)c2ccccc2)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide?
The InChIKey is QUQNUUQXIGYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-6-10-7-17(16-15-10)8-11(18)14-12(19)9-4-2-1-3-5-9/h1-5,7H,6,8,13H2,(H,14,18,19).
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide?
N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide has a molecular weight of 259.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide is sourced from PubChem (CID 62056005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).