(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide

C10H12N6O — CID 78928294

IUPAC(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccnn2C)n[nH]1
InChIInChI=1S/C10H12N6O/c1-7-12-10(15-14-7)13-9(17)4-3-8-5-6-11-16(8)2/h3-6H,1-2H3,(H2,12,13,14,15,17)/b4-3+
InChIKeyBADIZSSCMTZHLH-ONEGZZNKSA-N
MW232.25 g/mol
LogP0.50
Rot. Bonds3

About (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide

(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (PubChem CID 78928294) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
PubChem CID78928294
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccnn2C)n[nH]1
InChIInChI=1S/C10H12N6O/c1-7-12-10(15-14-7)13-9(17)4-3-8-5-6-11-16(8)2/h3-6H,1-2H3,(H2,12,13,14,15,17)/b4-3+
InChIKeyBADIZSSCMTZHLH-ONEGZZNKSA-N
XLogP0.50
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 76915367
(E)-3-(3-bromophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
CID 78927616
5-hydroxy-2-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]benzoic acid
CID 76899890
3-methyl-5-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid
CID 43356599
(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79675864
3-methyl-3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]butanoic acid
CID 77058412
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
(E)-3-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 19582262
ethyl 3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]propanoate
CID 76930231
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79252809
(E)-N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 107232707
N-(2,3-dihydroxy-2-methylpropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 77113854

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (CID 78928294) is (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is Cc1nc(NC(=O)/C=C/c2ccnn2C)n[nH]1.
What is the InChIKey of (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The InChIKey is BADIZSSCMTZHLH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12N6O/c1-7-12-10(15-14-7)13-9(17)4-3-8-5-6-11-16(8)2/h3-6H,1-2H3,(H2,12,13,14,15,17)/b4-3+.
What are the key properties of (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
(E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide has a molecular weight of 232.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylpyrazol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is sourced from PubChem (CID 78928294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).