1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea

C14H18N6O2 — CID 131663207

IUPAC1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1nnn2c1COC(CNC(=O)NCc1cccnc1)C2
InChIInChI=1S/C14H18N6O2/c1-10-13-9-22-12(8-20(13)19-18-10)7-17-14(21)16-6-11-3-2-4-15-5-11/h2-5,12H,6-9H2,1H3,(H2,16,17,21)
InChIKeyJKRKJBZQGVKZCI-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.38
Rot. Bonds4

About 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea

1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 131663207) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID131663207
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1nnn2c1COC(CNC(=O)NCc1cccnc1)C2
InChIInChI=1S/C14H18N6O2/c1-10-13-9-22-12(8-20(13)19-18-10)7-17-14(21)16-6-11-3-2-4-15-5-11/h2-5,12H,6-9H2,1H3,(H2,16,17,21)
InChIKeyJKRKJBZQGVKZCI-UHFFFAOYSA-N
XLogP0.38
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea 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

N-(pyridin-3-ylmethyl)-1-(3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
CID 131652655
2-[(pyridin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218846
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
tert-butyl 5-[(pyridin-3-ylmethylcarbamoylamino)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 162502080
2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99106907
2-[(3S,3aS,6aS)-5-acetyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97483084

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea (CID 131663207) is 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea is Cc1nnn2c1COC(CNC(=O)NCc1cccnc1)C2.
What is the InChIKey of 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is JKRKJBZQGVKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10-13-9-22-12(8-20(13)19-18-10)7-17-14(21)16-6-11-3-2-4-15-5-11/h2-5,12H,6-9H2,1H3,(H2,16,17,21).
What are the key properties of 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 302.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 131663207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).