5-methyl-1,3-diazepin-5-amine

C6H9N3 — CID 139400361

IUPAC5-methyl-1,3-diazepin-5-amine
SMILESCC1(N)C=CN=CN=C1
InChIInChI=1S/C6H9N3/c1-6(7)2-3-8-5-9-4-6/h2-5H,7H2,1H3
InChIKeyKCYVAJYUMPEMLH-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.33
Rot. Bonds

About 5-methyl-1,3-diazepin-5-amine

5-methyl-1,3-diazepin-5-amine (PubChem CID 139400361) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-1,3-diazepin-5-amine.

Molecular Properties

Compound Name5-methyl-1,3-diazepin-5-amine
PubChem CID139400361
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-1,3-diazepin-5-amine
SMILESCC1(N)C=CN=CN=C1
InChIInChI=1S/C6H9N3/c1-6(7)2-3-8-5-9-4-6/h2-5H,7H2,1H3
InChIKeyKCYVAJYUMPEMLH-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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Related Compounds

7-fluoro-N,5-dimethyl-1,3-diazepin-5-amine
CID 170969540
7-Fluoro-5-methyl-1,3-diazepin-5-amine
CID 170969859
5,5-Dimethyl-1,3-diazepin-2-amine
CID 123556057
(Z)-4-(ethylideneamino)-2-methylbut-3-en-2-amine
CID 129289758
2,5,5-trimethyl-1H-1,4-diazepin-2-amine
CID 142494654
2,5-Dimethyl-1,3-diazepin-5-amine
CID 143013600
7-Chloro-2,5-dimethyl-1,3-diazepin-5-amine
CID 163419970
7-Chloro-5-methyl-1,3-diazepin-5-amine
CID 170969707
(3S)-3-methylpyrrol-3-amine
CID 174816173
(3R)-3-methylpyrrol-3-amine
CID 177952610

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diazepin-5-amine?
The IUPAC name of 5-methyl-1,3-diazepin-5-amine (CID 139400361) is 5-methyl-1,3-diazepin-5-amine.
What is the SMILES notation for 5-methyl-1,3-diazepin-5-amine?
The canonical SMILES for 5-methyl-1,3-diazepin-5-amine is CC1(N)C=CN=CN=C1.
What is the InChIKey of 5-methyl-1,3-diazepin-5-amine?
The InChIKey is KCYVAJYUMPEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-6(7)2-3-8-5-9-4-6/h2-5H,7H2,1H3.
What are the key properties of 5-methyl-1,3-diazepin-5-amine?
5-methyl-1,3-diazepin-5-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 5-methyl-1,3-diazepin-5-amine is sourced from PubChem (CID 139400361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).