2-methyl-4H-1,3-diazepin-6-amine

C6H9N3 — CID 143422140

IUPAC2-methyl-4H-1,3-diazepin-6-amine
SMILESCC1=NCC=C(N)C=N1
InChIInChI=1S/C6H9N3/c1-5-8-3-2-6(7)4-9-5/h2,4H,3,7H2,1H3
InChIKeyQFJORHIKLYGTJK-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.33
Rot. Bonds

About 2-methyl-4H-1,3-diazepin-6-amine

2-methyl-4H-1,3-diazepin-6-amine (PubChem CID 143422140) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-methyl-4H-1,3-diazepin-6-amine.

Molecular Properties

Compound Name2-methyl-4H-1,3-diazepin-6-amine
PubChem CID143422140
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-methyl-4H-1,3-diazepin-6-amine
SMILESCC1=NCC=C(N)C=N1
InChIInChI=1S/C6H9N3/c1-5-8-3-2-6(7)4-9-5/h2,4H,3,7H2,1H3
InChIKeyQFJORHIKLYGTJK-UHFFFAOYSA-N
XLogP0.33
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-1,3-diazepin-6-amine?
The IUPAC name of 2-methyl-4H-1,3-diazepin-6-amine (CID 143422140) is 2-methyl-4H-1,3-diazepin-6-amine.
What is the SMILES notation for 2-methyl-4H-1,3-diazepin-6-amine?
The canonical SMILES for 2-methyl-4H-1,3-diazepin-6-amine is CC1=NCC=C(N)C=N1.
What is the InChIKey of 2-methyl-4H-1,3-diazepin-6-amine?
The InChIKey is QFJORHIKLYGTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-8-3-2-6(7)4-9-5/h2,4H,3,7H2,1H3.
What are the key properties of 2-methyl-4H-1,3-diazepin-6-amine?
2-methyl-4H-1,3-diazepin-6-amine has a molecular weight of 123.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-1,3-diazepin-6-amine is sourced from PubChem (CID 143422140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).