N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide

C14H17N5O2 — CID 106221027

IUPACN-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide
SMILESNCCCc1cn(CC(=O)NC(=O)c2ccccc2)nn1
InChIInChI=1S/C14H17N5O2/c15-8-4-7-12-9-19(18-17-12)10-13(20)16-14(21)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,15H2,(H,16,20,21)
InChIKeyMOWKKTNDJXMNRV-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.13
Rot. Bonds6

About N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide

N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide (PubChem CID 106221027) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide
PubChem CID106221027
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide
SMILESNCCCc1cn(CC(=O)NC(=O)c2ccccc2)nn1
InChIInChI=1S/C14H17N5O2/c15-8-4-7-12-9-19(18-17-12)10-13(20)16-14(21)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,15H2,(H,16,20,21)
InChIKeyMOWKKTNDJXMNRV-UHFFFAOYSA-N
XLogP0.13
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
CID 62056005
methyl N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]carbamate
CID 106221194
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 106220901
ethyl N-[2-[4-(4-aminobutyl)triazol-1-yl]acetyl]carbamate
CID 106209418
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106220994
2-[4-(2-aminoethyl)triazol-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 116642304
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 106220964
2-(4-pentyltriazol-1-yl)-1-phenylethanone
CID 139241367
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide?
The IUPAC name of N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide (CID 106221027) is N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide.
What is the SMILES notation for N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide?
The canonical SMILES for N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide is NCCCc1cn(CC(=O)NC(=O)c2ccccc2)nn1.
What is the InChIKey of N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide?
The InChIKey is MOWKKTNDJXMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-8-4-7-12-9-19(18-17-12)10-13(20)16-14(21)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,15H2,(H,16,20,21).
What are the key properties of N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide?
N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide is sourced from PubChem (CID 106221027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).