1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine

C14H13N5O — CID 138377665

IUPAC1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
SMILESCn1ccnc1-c1nnc2n1Cc1ccccc1OC2
InChIInChI=1S/C14H13N5O/c1-18-7-6-15-13(18)14-17-16-12-9-20-11-5-3-2-4-10(11)8-19(12)14/h2-7H,8-9H2,1H3
InChIKeyUDVYEXMRLPSSSJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.62
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine

1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine (PubChem CID 138377665) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
PubChem CID138377665
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
SMILESCn1ccnc1-c1nnc2n1Cc1ccccc1OC2
InChIInChI=1S/C14H13N5O/c1-18-7-6-15-13(18)14-17-16-12-9-20-11-5-3-2-4-10(11)8-19(12)14/h2-7H,8-9H2,1H3
InChIKeyUDVYEXMRLPSSSJ-UHFFFAOYSA-N
XLogP1.62
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine with MolForge

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Related Compounds

1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 164690562
1-(1,3-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138381403
1-(3,4,5-trimethoxyphenyl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 155910154
1-[(2S)-pyrrolidin-2-yl]-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138379011
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
CID 65407973
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
ethane;1-methyl-2-phenylimidazole
CID 142155183
1-[4-methyl-5-(1-methylimidazol-2-yl)-1,2,4-triazol-3-yl]-4-phenylpiperazine
CID 136573945
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
CID 56743334
7-[4-(1-methylimidazol-2-yl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 91270962
3-[2-(1-methylimidazol-2-yl)ethyl]-2,4-dihydrochromene-3-carboxylic acid
CID 114532606

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine (CID 138377665) is 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine is Cn1ccnc1-c1nnc2n1Cc1ccccc1OC2.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The InChIKey is UDVYEXMRLPSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-18-7-6-15-13(18)14-17-16-12-9-20-11-5-3-2-4-10(11)8-19(12)14/h2-7H,8-9H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine has a molecular weight of 267.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine is sourced from PubChem (CID 138377665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).