3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine

C10H12N2 — CID 123552098

IUPAC3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
SMILESCC1CC=C2C=CC=CN2C=N1
InChIInChI=1S/C10H12N2/c1-9-5-6-10-4-2-3-7-12(10)8-11-9/h2-4,6-9H,5H2,1H3
InChIKeyDYEKDPQKRGZTFN-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.08
Rot. Bonds

About 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine

3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine (PubChem CID 123552098) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine.

Molecular Properties

Compound Name3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
PubChem CID123552098
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
SMILESCC1CC=C2C=CC=CN2C=N1
InChIInChI=1S/C10H12N2/c1-9-5-6-10-4-2-3-7-12(10)8-11-9/h2-4,6-9H,5H2,1H3
InChIKeyDYEKDPQKRGZTFN-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine?
The IUPAC name of 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine (CID 123552098) is 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine.
What is the SMILES notation for 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine?
The canonical SMILES for 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine is CC1CC=C2C=CC=CN2C=N1.
What is the InChIKey of 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine?
The InChIKey is DYEKDPQKRGZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-5-6-10-4-2-3-7-12(10)8-11-9/h2-4,6-9H,5H2,1H3.
What are the key properties of 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine?
3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine has a molecular weight of 160.22 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine is sourced from PubChem (CID 123552098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).