2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

C10H17N5O — CID 116676800

IUPAC2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1nncn1C)C1CNC1
InChIInChI=1S/C10H17N5O/c1-7(8-3-11-4-8)10(16)12-5-9-14-13-6-15(9)2/h6-8,11H,3-5H2,1-2H3,(H,12,16)
InChIKeyOWJKBHJAOUQYFQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.71
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 116676800) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID116676800
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1nncn1C)C1CNC1
InChIInChI=1S/C10H17N5O/c1-7(8-3-11-4-8)10(16)12-5-9-14-13-6-15(9)2/h6-8,11H,3-5H2,1-2H3,(H,12,16)
InChIKeyOWJKBHJAOUQYFQ-UHFFFAOYSA-N
XLogP-0.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 71970064
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61004222
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 55037656
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83032301
2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 62118665
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 76936040

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 116676800) is 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C(=O)NCc1nncn1C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is OWJKBHJAOUQYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7(8-3-11-4-8)10(16)12-5-9-14-13-6-15(9)2/h6-8,11H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 223.28 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 116676800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).