N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide

C14H16N6O — CID 166878613

IUPACN-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCCCc1nc(C(C)NC=O)n(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C14H16N6O/c1-3-4-12-18-14(10(2)17-9-21)20(19-12)13-6-5-11(7-15)8-16-13/h5-6,8-10H,3-4H2,1-2H3,(H,17,21)
InChIKeyICDQNCMCWINBOW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.29
Rot. Bonds6

About N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide

N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide (PubChem CID 166878613) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
PubChem CID166878613
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCCCc1nc(C(C)NC=O)n(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C14H16N6O/c1-3-4-12-18-14(10(2)17-9-21)20(19-12)13-6-5-11(7-15)8-16-13/h5-6,8-10H,3-4H2,1-2H3,(H,17,21)
InChIKeyICDQNCMCWINBOW-UHFFFAOYSA-N
XLogP1.29
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide?
The IUPAC name of N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide (CID 166878613) is N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide?
The canonical SMILES for N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide is CCCc1nc(C(C)NC=O)n(-c2ccc(C#N)cn2)n1.
What is the InChIKey of N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide?
The InChIKey is ICDQNCMCWINBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-4-12-18-14(10(2)17-9-21)20(19-12)13-6-5-11(7-15)8-16-13/h5-6,8-10H,3-4H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide?
N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide has a molecular weight of 284.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide is sourced from PubChem (CID 166878613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).