4-methyl-5H-1,3-diazepin-2-amine

C6H9N3 — CID 142190123

IUPAC4-methyl-5H-1,3-diazepin-2-amine
SMILESCC1=NC(N)=NC=CC1
InChIInChI=1S/C6H9N3/c1-5-3-2-4-8-6(7)9-5/h2,4H,3H2,1H3,(H2,7,8)
InChIKeyNYCWUASVNXBQGD-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.68
Rot. Bonds

About 4-methyl-5H-1,3-diazepin-2-amine

4-methyl-5H-1,3-diazepin-2-amine (PubChem CID 142190123) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-methyl-5H-1,3-diazepin-2-amine.

Molecular Properties

Compound Name4-methyl-5H-1,3-diazepin-2-amine
PubChem CID142190123
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-methyl-5H-1,3-diazepin-2-amine
SMILESCC1=NC(N)=NC=CC1
InChIInChI=1S/C6H9N3/c1-5-3-2-4-8-6(7)9-5/h2,4H,3H2,1H3,(H2,7,8)
InChIKeyNYCWUASVNXBQGD-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-1,3-diazepin-2-amine?
The IUPAC name of 4-methyl-5H-1,3-diazepin-2-amine (CID 142190123) is 4-methyl-5H-1,3-diazepin-2-amine.
What is the SMILES notation for 4-methyl-5H-1,3-diazepin-2-amine?
The canonical SMILES for 4-methyl-5H-1,3-diazepin-2-amine is CC1=NC(N)=NC=CC1.
What is the InChIKey of 4-methyl-5H-1,3-diazepin-2-amine?
The InChIKey is NYCWUASVNXBQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-3-2-4-8-6(7)9-5/h2,4H,3H2,1H3,(H2,7,8).
What are the key properties of 4-methyl-5H-1,3-diazepin-2-amine?
4-methyl-5H-1,3-diazepin-2-amine has a molecular weight of 123.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-1,3-diazepin-2-amine is sourced from PubChem (CID 142190123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).