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

C6H11N3 — CID 86341262

IUPAC2-methyl-1,2-dihydropyridine-3,4-diamine
SMILESCC1NC=CC(N)=C1N
InChIInChI=1S/C6H11N3/c1-4-6(8)5(7)2-3-9-4/h2-4,9H,7-8H2,1H3
InChIKeyAFDLEVZXLGQKOY-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.38
Rot. Bonds

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

2-methyl-1,2-dihydropyridine-3,4-diamine (PubChem CID 86341262) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methyl-1,2-dihydropyridine-3,4-diamine.

Molecular Properties

Compound Name2-methyl-1,2-dihydropyridine-3,4-diamine
PubChem CID86341262
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-methyl-1,2-dihydropyridine-3,4-diamine
SMILESCC1NC=CC(N)=C1N
InChIInChI=1S/C6H11N3/c1-4-6(8)5(7)2-3-9-4/h2-4,9H,7-8H2,1H3
InChIKeyAFDLEVZXLGQKOY-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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Related Compounds

2-methyl-1,2-dihydropyrrol-3-one
CID 23184788
5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine
CID 140980197
(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol
CID 163903609
(2S)-2,3-dimethyl-1,2-dihydropyrazine
CID 142828304
1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline
CID 164524264
7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine;ethane
CID 144639531
(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
CID 93499476
2-methyl-1,2,3,4-tetrahydroazepin-5-one
CID 55286646
ethyl 4-methyl-1,2-dihydropyridine-2-carboxylate
CID 18707191
(Z,3E)-3-(2-iodo-1,2-dihydropyrrol-3-ylidene)-4,4-dimethylpent-1-en-1-amine
CID 89113778
2-cyclopropyl-1H-pyridine-2,3,4-triamine
CID 154210946
4-(aminomethyl)-3-methyl-1,2-dihydropyridin-2-ol
CID 141021566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydropyridine-3,4-diamine?
The IUPAC name of 2-methyl-1,2-dihydropyridine-3,4-diamine (CID 86341262) is 2-methyl-1,2-dihydropyridine-3,4-diamine.
What is the SMILES notation for 2-methyl-1,2-dihydropyridine-3,4-diamine?
The canonical SMILES for 2-methyl-1,2-dihydropyridine-3,4-diamine is CC1NC=CC(N)=C1N.
What is the InChIKey of 2-methyl-1,2-dihydropyridine-3,4-diamine?
The InChIKey is AFDLEVZXLGQKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6(8)5(7)2-3-9-4/h2-4,9H,7-8H2,1H3.
What are the key properties of 2-methyl-1,2-dihydropyridine-3,4-diamine?
2-methyl-1,2-dihydropyridine-3,4-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 2-methyl-1,2-dihydropyridine-3,4-diamine is sourced from PubChem (CID 86341262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).