N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

C10H10N6O — CID 6884762

IUPACN-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccncc1
InChIInChI=1S/C10H10N6O/c17-10(6-16-8-12-7-14-16)15-13-5-9-1-3-11-4-2-9/h1-5,7-8H,6H2,(H,15,17)/b13-5+
InChIKeyGZMBWWBYWBXKDH-WLRTZDKTSA-N
MW230.23 g/mol
LogP-0.18
Rot. Bonds4

About N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 6884762) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID6884762
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccncc1
InChIInChI=1S/C10H10N6O/c17-10(6-16-8-12-7-14-16)15-13-5-9-1-3-11-4-2-9/h1-5,7-8H,6H2,(H,15,17)/b13-5+
InChIKeyGZMBWWBYWBXKDH-WLRTZDKTSA-N
XLogP-0.18
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 6884762) is N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N/N=C/c1ccncc1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is GZMBWWBYWBXKDH-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H10N6O/c17-10(6-16-8-12-7-14-16)15-13-5-9-1-3-11-4-2-9/h1-5,7-8H,6H2,(H,15,17)/b13-5+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 230.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 6884762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).