N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide

C9H13N7O — CID 28766650

IUPACN-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
SMILESCCCn1ncc(NC(=O)Cn2ccnn2)n1
InChIInChI=1S/C9H13N7O/c1-2-4-16-11-6-8(13-16)12-9(17)7-15-5-3-10-14-15/h3,5-6H,2,4,7H2,1H3,(H,12,13,17)
InChIKeyYMOYFFIOEYKPQW-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.08
Rot. Bonds5

About N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide

N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide (PubChem CID 28766650) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
PubChem CID28766650
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
SMILESCCCn1ncc(NC(=O)Cn2ccnn2)n1
InChIInChI=1S/C9H13N7O/c1-2-4-16-11-6-8(13-16)12-9(17)7-15-5-3-10-14-15/h3,5-6H,2,4,7H2,1H3,(H,12,13,17)
InChIKeyYMOYFFIOEYKPQW-UHFFFAOYSA-N
XLogP-0.08
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-methoxypyrazin-2-yl)pyrazol-1-yl]-N-(2-propyltriazol-4-yl)acetamide
CID 30920795
methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
CID 46988642
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 29001156
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 46982645
3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 115348197
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2-ethyltriazol-4-yl)-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
CID 46989829
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275

Frequently Asked Questions

What is the IUPAC name of N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide (CID 28766650) is N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide is CCCn1ncc(NC(=O)Cn2ccnn2)n1.
What is the InChIKey of N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide?
The InChIKey is YMOYFFIOEYKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-2-4-16-11-6-8(13-16)12-9(17)7-15-5-3-10-14-15/h3,5-6H,2,4,7H2,1H3,(H,12,13,17).
What are the key properties of N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide?
N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide has a molecular weight of 235.25 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 28766650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).