N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H13N5O — CID 35582382

IUPACN-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCc1cccnc1
InChIInChI=1S/C11H13N5O/c17-11(3-5-16-9-13-8-15-16)14-7-10-2-1-4-12-6-10/h1-2,4,6,8-9H,3,5,7H2,(H,14,17)
InChIKeyFYRQJPHLJMJRHS-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.38
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 35582382) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID35582382
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCc1cccnc1
InChIInChI=1S/C11H13N5O/c17-11(3-5-16-9-13-8-15-16)14-7-10-2-1-4-12-6-10/h1-2,4,6,8-9H,3,5,7H2,(H,14,17)
InChIKeyFYRQJPHLJMJRHS-UHFFFAOYSA-N
XLogP0.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32627824
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 24653404
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134012322
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 113202525
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 35582382) is N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FYRQJPHLJMJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c17-11(3-5-16-9-13-8-15-16)14-7-10-2-1-4-12-6-10/h1-2,4,6,8-9H,3,5,7H2,(H,14,17).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 35582382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).