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

C11H13N5O — CID 51101617

IUPACN-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1ncn(Cc2cccnc2)n1
InChIInChI=1S/C11H13N5O/c1-2-10(17)14-11-13-8-16(15-11)7-9-4-3-5-12-6-9/h3-6,8H,2,7H2,1H3,(H,14,15,17)
InChIKeyCKWRDPMMHAHZKB-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.07
Rot. Bonds4

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

N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide (PubChem CID 51101617) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide
PubChem CID51101617
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1ncn(Cc2cccnc2)n1
InChIInChI=1S/C11H13N5O/c1-2-10(17)14-11-13-8-16(15-11)7-9-4-3-5-12-6-9/h3-6,8H,2,7H2,1H3,(H,14,15,17)
InChIKeyCKWRDPMMHAHZKB-UHFFFAOYSA-N
XLogP1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide (CID 51101617) is N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide is CCC(=O)Nc1ncn(Cc2cccnc2)n1.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide?
The InChIKey is CKWRDPMMHAHZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-10(17)14-11-13-8-16(15-11)7-9-4-3-5-12-6-9/h3-6,8H,2,7H2,1H3,(H,14,15,17).
What are the key properties of N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide?
N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 51101617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).