2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine

C8H11N3 — CID 91185483

IUPAC2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
SMILESCc1nc2n(n1)CCCC=C2
InChIInChI=1S/C8H11N3/c1-7-9-8-5-3-2-4-6-11(8)10-7/h3,5H,2,4,6H2,1H3
InChIKeyOLVYFCNABOENGX-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.39
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine

2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine (PubChem CID 91185483) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
PubChem CID91185483
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
SMILESCc1nc2n(n1)CCCC=C2
InChIInChI=1S/C8H11N3/c1-7-9-8-5-3-2-4-6-11(8)10-7/h3,5H,2,4,6H2,1H3
InChIKeyOLVYFCNABOENGX-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134468907
6,7-Dimethyl-9-methylidene-8,9-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 21827471
9-Methyl-2,9-di(propan-2-yl)-5,8-dihydro-[1,2,4]triazolo[1,5-a]azepine
CID 58110023
Chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162866
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
2-Methyl-5,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072987
3,5-Bis(but-3-enyl)-1-methyl-1,2,4-triazole
CID 70275704
5H-[1,2,4]triazolo[1,5-c][3]benzazepine
CID 88439719
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
2,8,8-Trimethyl-5,9-dihydro-[1,2,4]triazolo[1,5-a]azepine
CID 91297419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine?
The IUPAC name of 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine (CID 91185483) is 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine is Cc1nc2n(n1)CCCC=C2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine?
The InChIKey is OLVYFCNABOENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-9-8-5-3-2-4-6-11(8)10-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine?
2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine has a molecular weight of 149.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine is sourced from PubChem (CID 91185483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).