N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide

C6H7ClN4O — CID 115636783

IUPACN-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
SMILESC=C(Cl)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H7ClN4O/c1-4(7)2-8-6(12)5-3-9-11-10-5/h3H,1-2H2,(H,8,12)(H,9,10,11)
InChIKeyASCVLMGBJDMREA-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.29
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide

N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide (PubChem CID 115636783) has the molecular formula C6H7ClN4O and a molecular weight of 186.60 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
PubChem CID115636783
Molecular FormulaC6H7ClN4O
Molecular Weight186.60 g/mol
Exact Mass186.03
IUPAC NameN-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
SMILESC=C(Cl)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H7ClN4O/c1-4(7)2-8-6(12)5-3-9-11-10-5/h3H,1-2H2,(H,8,12)(H,9,10,11)
InChIKeyASCVLMGBJDMREA-UHFFFAOYSA-N
XLogP0.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-2H-triazole-4-carboxamide
CID 47262469
N-propyl-2H-triazole-4-carboxamide
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2H-triazole-4-carbohydrazide
CID 50989778
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide
CID 115636693
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
CID 78980090
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 78969850
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(3-methylbut-2-enyl)-2H-triazole-4-carboxamide
CID 103528182

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide (CID 115636783) is N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide is C=C(Cl)CNC(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide?
The InChIKey is ASCVLMGBJDMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O/c1-4(7)2-8-6(12)5-3-9-11-10-5/h3H,1-2H2,(H,8,12)(H,9,10,11).
What are the key properties of N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide?
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide has a molecular weight of 186.60 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 115636783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).