3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide

C12H15N5O — CID 72892446

IUPAC3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide
SMILESCCn1nc(-c2ccccn2)nc1CCC(N)=O
InChIInChI=1S/C12H15N5O/c1-2-17-11(7-6-10(13)18)15-12(16-17)9-5-3-4-8-14-9/h3-5,8H,2,6-7H2,1H3,(H2,13,18)
InChIKeySZYIGJBBLWBYQV-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.78
Rot. Bonds5

About 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide

3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 72892446) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID72892446
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide
SMILESCCn1nc(-c2ccccn2)nc1CCC(N)=O
InChIInChI=1S/C12H15N5O/c1-2-17-11(7-6-10(13)18)15-12(16-17)9-5-3-4-8-14-9/h3-5,8H,2,6-7H2,1H3,(H2,13,18)
InChIKeySZYIGJBBLWBYQV-UHFFFAOYSA-N
XLogP0.78
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide (CID 72892446) is 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide is CCn1nc(-c2ccccn2)nc1CCC(N)=O.
What is the InChIKey of 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is SZYIGJBBLWBYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-17-11(7-6-10(13)18)15-12(16-17)9-5-3-4-8-14-9/h3-5,8H,2,6-7H2,1H3,(H2,13,18).
What are the key properties of 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide?
3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 245.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 72892446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).