N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide

C7H10N4O — CID 59967519

IUPACN-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
SMILESCC(=O)N/C=C\c1n[nH]c(C)n1
InChIInChI=1S/C7H10N4O/c1-5-9-7(11-10-5)3-4-8-6(2)12/h3-4H,1-2H3,(H,8,12)(H,9,10,11)/b4-3-
InChIKeyLTBQGCGNXPONPI-ARJAWSKDSA-N
MW166.18 g/mol
LogP0.22
Rot. Bonds2

About N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide

N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide (PubChem CID 59967519) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
PubChem CID59967519
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
SMILESCC(=O)N/C=C\c1n[nH]c(C)n1
InChIInChI=1S/C7H10N4O/c1-5-9-7(11-10-5)3-4-8-6(2)12/h3-4H,1-2H3,(H,8,12)(H,9,10,11)/b4-3-
InChIKeyLTBQGCGNXPONPI-ARJAWSKDSA-N
XLogP0.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
CID 59967520
N-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide
CID 12465372
N-[(E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
CID 12465376
N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide
CID 55286478
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide
CID 64510222
N-[2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide
CID 76223992
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
CID 79278968
5-methyl-N-prop-2-enyl-1H-1,2,4-triazole-3-carboxamide
CID 80367805
N-[(E)-4-aminobut-2-enyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 104461685
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 108105487
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 108105489
3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 130604240

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide?
The IUPAC name of N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide (CID 59967519) is N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide.
What is the SMILES notation for N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide?
The canonical SMILES for N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide is CC(=O)N/C=C\c1n[nH]c(C)n1.
What is the InChIKey of N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide?
The InChIKey is LTBQGCGNXPONPI-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-9-7(11-10-5)3-4-8-6(2)12/h3-4H,1-2H3,(H,8,12)(H,9,10,11)/b4-3-.
What are the key properties of N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide?
N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide has a molecular weight of 166.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide is sourced from PubChem (CID 59967519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).