N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide

C14H11N5O2 — CID 5030121

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H11N5O2/c20-12-6-5-9-3-1-2-4-10(9)11(12)7-16-19-14(21)13-15-8-17-18-13/h1-8,20H,(H,19,21)(H,15,17,18)
InChIKeyHMBOKLYZTQOYGU-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.43
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 5030121) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
PubChem CID5030121
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H11N5O2/c20-12-6-5-9-3-1-2-4-10(9)11(12)7-16-19-14(21)13-15-8-17-18-13/h1-8,20H,(H,19,21)(H,15,17,18)
InChIKeyHMBOKLYZTQOYGU-UHFFFAOYSA-N
XLogP1.43
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide
CID 135443025
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide (CID 5030121) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is O=C(NN=Cc1c(O)ccc2ccccc12)c1ncn[nH]1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HMBOKLYZTQOYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-12-6-5-9-3-1-2-4-10(9)11(12)7-16-19-14(21)13-15-8-17-18-13/h1-8,20H,(H,19,21)(H,15,17,18).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 5030121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).