N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide

C15H21N5O — CID 118784796

IUPACN-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
SMILESCCCn1ncnc1C(C)NC(=O)CCc1cccnc1
InChIInChI=1S/C15H21N5O/c1-3-9-20-15(17-11-18-20)12(2)19-14(21)7-6-13-5-4-8-16-10-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,19,21)
InChIKeyCIIXRSVQQWIHIO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.89
Rot. Bonds7

About N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide

N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide (PubChem CID 118784796) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
PubChem CID118784796
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
SMILESCCCn1ncnc1C(C)NC(=O)CCc1cccnc1
InChIInChI=1S/C15H21N5O/c1-3-9-20-15(17-11-18-20)12(2)19-14(21)7-6-13-5-4-8-16-10-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,19,21)
InChIKeyCIIXRSVQQWIHIO-UHFFFAOYSA-N
XLogP1.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125161067
2-benzyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97042057

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide (CID 118784796) is N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide is CCCn1ncnc1C(C)NC(=O)CCc1cccnc1.
What is the InChIKey of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is CIIXRSVQQWIHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-9-20-15(17-11-18-20)12(2)19-14(21)7-6-13-5-4-8-16-10-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide?
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 287.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 118784796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).