4-methyl-1,2-dihydropyridine-3,6-diamine

C6H11N3 — CID 86340379

IUPAC4-methyl-1,2-dihydropyridine-3,6-diamine
SMILESCC1=C(N)CNC(N)=C1
InChIInChI=1S/C6H11N3/c1-4-2-6(8)9-3-5(4)7/h2,9H,3,7-8H2,1H3
InChIKeyYPKHUPSLBHZPEW-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.38
Rot. Bonds

About 4-methyl-1,2-dihydropyridine-3,6-diamine

4-methyl-1,2-dihydropyridine-3,6-diamine (PubChem CID 86340379) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methyl-1,2-dihydropyridine-3,6-diamine.

Molecular Properties

Compound Name4-methyl-1,2-dihydropyridine-3,6-diamine
PubChem CID86340379
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-methyl-1,2-dihydropyridine-3,6-diamine
SMILESCC1=C(N)CNC(N)=C1
InChIInChI=1S/C6H11N3/c1-4-2-6(8)9-3-5(4)7/h2,9H,3,7-8H2,1H3
InChIKeyYPKHUPSLBHZPEW-UHFFFAOYSA-N
XLogP-0.38
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydropyridine-3,6-diamine?
The IUPAC name of 4-methyl-1,2-dihydropyridine-3,6-diamine (CID 86340379) is 4-methyl-1,2-dihydropyridine-3,6-diamine.
What is the SMILES notation for 4-methyl-1,2-dihydropyridine-3,6-diamine?
The canonical SMILES for 4-methyl-1,2-dihydropyridine-3,6-diamine is CC1=C(N)CNC(N)=C1.
What is the InChIKey of 4-methyl-1,2-dihydropyridine-3,6-diamine?
The InChIKey is YPKHUPSLBHZPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-2-6(8)9-3-5(4)7/h2,9H,3,7-8H2,1H3.
What are the key properties of 4-methyl-1,2-dihydropyridine-3,6-diamine?
4-methyl-1,2-dihydropyridine-3,6-diamine has a molecular weight of 125.17 g/mol, XLogP of -0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydropyridine-3,6-diamine is sourced from PubChem (CID 86340379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).