1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

C12H12N6O2 — CID 47139422

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2nnc3ccccn23)no1
InChIInChI=1S/C12H12N6O2/c1-8-6-9(17-20-8)14-12(19)13-7-11-16-15-10-4-2-3-5-18(10)11/h2-6H,7H2,1H3,(H2,13,14,17,19)
InChIKeySMQZLNNZCAHQKF-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.35
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (PubChem CID 47139422) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
PubChem CID47139422
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2nnc3ccccn23)no1
InChIInChI=1S/C12H12N6O2/c1-8-6-9(17-20-8)14-12(19)13-7-11-16-15-10-4-2-3-5-18(10)11/h2-6H,7H2,1H3,(H2,13,14,17,19)
InChIKeySMQZLNNZCAHQKF-UHFFFAOYSA-N
XLogP1.35
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 51290333
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 74232081
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649
1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 87009930
1-(3-ethynylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 86988197
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010332
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (CID 47139422) is 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is Cc1cc(NC(=O)NCc2nnc3ccccn23)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The InChIKey is SMQZLNNZCAHQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-8-6-9(17-20-8)14-12(19)13-7-11-16-15-10-4-2-3-5-18(10)11/h2-6H,7H2,1H3,(H2,13,14,17,19).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea has a molecular weight of 272.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47139422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).