N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C14H15F3N4O — CID 71974367

IUPACN-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(c1ccc2nncn2c1)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)5-6-20(7-10-1-2-10)13(22)11-3-4-12-19-18-9-21(12)8-11/h3-4,8-10H,1-2,5-7H2
InChIKeyRZODEJZCPSNEQL-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.53
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 71974367) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID71974367
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC NameN-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(c1ccc2nncn2c1)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)5-6-20(7-10-1-2-10)13(22)11-3-4-12-19-18-9-21(12)8-11/h3-4,8-10H,1-2,5-7H2
InChIKeyRZODEJZCPSNEQL-UHFFFAOYSA-N
XLogP2.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 71974367) is N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(c1ccc2nncn2c1)N(CCC(F)(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RZODEJZCPSNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)5-6-20(7-10-1-2-10)13(22)11-3-4-12-19-18-9-21(12)8-11/h3-4,8-10H,1-2,5-7H2.
What are the key properties of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 71974367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).