N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C13H10N6O3 — CID 155808042

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C13H10N6O3/c20-9-3-1-8(2-4-9)5-16-18-11(21)10-6-14-13-15-7-17-19(13)12(10)22/h1-7,20H,(H,18,21)(H,14,15,17)/b16-5+
InChIKeyULVJRWGKWJZQTI-FZSIALSZSA-N
MW298.26 g/mol
LogP-0.11
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 155808042) has the molecular formula C13H10N6O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID155808042
Molecular FormulaC13H10N6O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C13H10N6O3/c20-9-3-1-8(2-4-9)5-16-18-11(21)10-6-14-13-15-7-17-19(13)12(10)22/h1-7,20H,(H,18,21)(H,14,15,17)/b16-5+
InChIKeyULVJRWGKWJZQTI-FZSIALSZSA-N
XLogP-0.11
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 155808042) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ULVJRWGKWJZQTI-FZSIALSZSA-N. The full InChI is InChI=1S/C13H10N6O3/c20-9-3-1-8(2-4-9)5-16-18-11(21)10-6-14-13-15-7-17-19(13)12(10)22/h1-7,20H,(H,18,21)(H,14,15,17)/b16-5+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 298.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 155808042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).