2-methyl-1H-1,3,5-triazepine

C5H7N3 — CID 129313388

IUPAC2-methyl-1H-1,3,5-triazepine
SMILESCC1=NC=NC=CN1
InChIInChI=1S/C5H7N3/c1-5-7-3-2-6-4-8-5/h2-4H,1H3,(H,6,7,8)
InChIKeyJFNDKZVUVWXFAP-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.51
Rot. Bonds

About 2-methyl-1H-1,3,5-triazepine

2-methyl-1H-1,3,5-triazepine (PubChem CID 129313388) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-methyl-1H-1,3,5-triazepine.

Molecular Properties

Compound Name2-methyl-1H-1,3,5-triazepine
PubChem CID129313388
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name2-methyl-1H-1,3,5-triazepine
SMILESCC1=NC=NC=CN1
InChIInChI=1S/C5H7N3/c1-5-7-3-2-6-4-8-5/h2-4H,1H3,(H,6,7,8)
InChIKeyJFNDKZVUVWXFAP-UHFFFAOYSA-N
XLogP0.51
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-1,3,5-triazepine?
The IUPAC name of 2-methyl-1H-1,3,5-triazepine (CID 129313388) is 2-methyl-1H-1,3,5-triazepine.
What is the SMILES notation for 2-methyl-1H-1,3,5-triazepine?
The canonical SMILES for 2-methyl-1H-1,3,5-triazepine is CC1=NC=NC=CN1.
What is the InChIKey of 2-methyl-1H-1,3,5-triazepine?
The InChIKey is JFNDKZVUVWXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-5-7-3-2-6-4-8-5/h2-4H,1H3,(H,6,7,8).
What are the key properties of 2-methyl-1H-1,3,5-triazepine?
2-methyl-1H-1,3,5-triazepine has a molecular weight of 109.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-1,3,5-triazepine is sourced from PubChem (CID 129313388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).