N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide

C13H11N5O2 — CID 119105032

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccco1
InChIInChI=1S/C13H11N5O2/c19-13(12-2-1-7-20-12)15-8-10-9-18(17-16-10)11-3-5-14-6-4-11/h1-7,9H,8H2,(H,15,19)
InChIKeyABJQONZENLZVCJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.19
Rot. Bonds4

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 119105032) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide
PubChem CID119105032
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccco1
InChIInChI=1S/C13H11N5O2/c19-13(12-2-1-7-20-12)15-8-10-9-18(17-16-10)11-3-5-14-6-4-11/h1-7,9H,8H2,(H,15,19)
InChIKeyABJQONZENLZVCJ-UHFFFAOYSA-N
XLogP1.19
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide (CID 119105032) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)c1ccco1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is ABJQONZENLZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-13(12-2-1-7-20-12)15-8-10-9-18(17-16-10)11-3-5-14-6-4-11/h1-7,9H,8H2,(H,15,19).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 119105032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).