6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine

C10H19N5 — CID 91008358

IUPAC6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine
SMILES[H]/N=C1\CC=CC(C2CNCCN2C)N1N
InChIInChI=1S/C10H19N5/c1-14-6-5-13-7-9(14)8-3-2-4-10(11)15(8)12/h2-3,8-9,11,13H,4-7,12H2,1H3/b11-10+
InChIKeyQQPHAQSXNRYIAK-ZHACJKMWSA-N
MW209.30 g/mol
LogP-0.63
Rot. Bonds1

About 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine

6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine (PubChem CID 91008358) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine.

Molecular Properties

Compound Name6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine
PubChem CID91008358
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine
SMILES[H]/N=C1\CC=CC(C2CNCCN2C)N1N
InChIInChI=1S/C10H19N5/c1-14-6-5-13-7-9(14)8-3-2-4-10(11)15(8)12/h2-3,8-9,11,13H,4-7,12H2,1H3/b11-10+
InChIKeyQQPHAQSXNRYIAK-ZHACJKMWSA-N
XLogP-0.63
TPSA68.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine?
The IUPAC name of 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine (CID 91008358) is 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine.
What is the SMILES notation for 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine?
The canonical SMILES for 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine is [H]/N=C1\CC=CC(C2CNCCN2C)N1N.
What is the InChIKey of 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine?
The InChIKey is QQPHAQSXNRYIAK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N5/c1-14-6-5-13-7-9(14)8-3-2-4-10(11)15(8)12/h2-3,8-9,11,13H,4-7,12H2,1H3/b11-10+.
What are the key properties of 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine?
6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine has a molecular weight of 209.30 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2-(1-methylpiperazin-2-yl)-2,5-dihydropyridin-1-amine is sourced from PubChem (CID 91008358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).