1,7-dimethyl-1,3,5-triazepine

C6H9N3 — CID 129300917

IUPAC1,7-dimethyl-1,3,5-triazepine
SMILESCC1=CN=CN=CN1C
InChIInChI=1S/C6H9N3/c1-6-3-7-4-8-5-9(6)2/h3-5H,1-2H3
InChIKeyCBIWYSYAKVOWKX-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.85
Rot. Bonds

About 1,7-dimethyl-1,3,5-triazepine

1,7-dimethyl-1,3,5-triazepine (PubChem CID 129300917) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1,7-dimethyl-1,3,5-triazepine.

Molecular Properties

Compound Name1,7-dimethyl-1,3,5-triazepine
PubChem CID129300917
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1,7-dimethyl-1,3,5-triazepine
SMILESCC1=CN=CN=CN1C
InChIInChI=1S/C6H9N3/c1-6-3-7-4-8-5-9(6)2/h3-5H,1-2H3
InChIKeyCBIWYSYAKVOWKX-UHFFFAOYSA-N
XLogP0.85
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,3,5-triazepine?
The IUPAC name of 1,7-dimethyl-1,3,5-triazepine (CID 129300917) is 1,7-dimethyl-1,3,5-triazepine.
What is the SMILES notation for 1,7-dimethyl-1,3,5-triazepine?
The canonical SMILES for 1,7-dimethyl-1,3,5-triazepine is CC1=CN=CN=CN1C.
What is the InChIKey of 1,7-dimethyl-1,3,5-triazepine?
The InChIKey is CBIWYSYAKVOWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-6-3-7-4-8-5-9(6)2/h3-5H,1-2H3.
What are the key properties of 1,7-dimethyl-1,3,5-triazepine?
1,7-dimethyl-1,3,5-triazepine has a molecular weight of 123.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-1,3,5-triazepine is sourced from PubChem (CID 129300917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).