(4R)-4-methyl-4H-1,3-diazepine

C6H8N2 — CID 170153763

IUPAC(4R)-4-methyl-4H-1,3-diazepine
SMILESC[C@@H]1C=CC=NC=N1
InChIInChI=1S/C6H8N2/c1-6-3-2-4-7-5-8-6/h2-6H,1H3/t6-/m1/s1
InChIKeyPMBRAEPPFRGLSL-ZCFIWIBFSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds

About (4R)-4-methyl-4H-1,3-diazepine

(4R)-4-methyl-4H-1,3-diazepine (PubChem CID 170153763) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (4R)-4-methyl-4H-1,3-diazepine.

Molecular Properties

Compound Name(4R)-4-methyl-4H-1,3-diazepine
PubChem CID170153763
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(4R)-4-methyl-4H-1,3-diazepine
SMILESC[C@@H]1C=CC=NC=N1
InChIInChI=1S/C6H8N2/c1-6-3-2-4-7-5-8-6/h2-6H,1H3/t6-/m1/s1
InChIKeyPMBRAEPPFRGLSL-ZCFIWIBFSA-N
XLogP1.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4H-1,3-diazepine?
The IUPAC name of (4R)-4-methyl-4H-1,3-diazepine (CID 170153763) is (4R)-4-methyl-4H-1,3-diazepine.
What is the SMILES notation for (4R)-4-methyl-4H-1,3-diazepine?
The canonical SMILES for (4R)-4-methyl-4H-1,3-diazepine is C[C@@H]1C=CC=NC=N1.
What is the InChIKey of (4R)-4-methyl-4H-1,3-diazepine?
The InChIKey is PMBRAEPPFRGLSL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-3-2-4-7-5-8-6/h2-6H,1H3/t6-/m1/s1.
What are the key properties of (4R)-4-methyl-4H-1,3-diazepine?
(4R)-4-methyl-4H-1,3-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4H-1,3-diazepine is sourced from PubChem (CID 170153763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).