1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine

C14H21N5 — CID 67629406

IUPAC1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine
SMILESCc1nnc(C(N)CCN)c2cc3n(c12)CCCC3
InChIInChI=1S/C14H21N5/c1-9-14-11(8-10-4-2-3-7-19(10)14)13(18-17-9)12(16)5-6-15/h8,12H,2-7,15-16H2,1H3
InChIKeyGFPACYBEFGKLSF-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine

1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine (PubChem CID 67629406) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine
PubChem CID67629406
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine
SMILESCc1nnc(C(N)CCN)c2cc3n(c12)CCCC3
InChIInChI=1S/C14H21N5/c1-9-14-11(8-10-4-2-3-7-19(10)14)13(18-17-9)12(16)5-6-15/h8,12H,2-7,15-16H2,1H3
InChIKeyGFPACYBEFGKLSF-UHFFFAOYSA-N
XLogP1.42
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine (CID 67629406) is 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine is Cc1nnc(C(N)CCN)c2cc3n(c12)CCCC3.
What is the InChIKey of 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine?
The InChIKey is GFPACYBEFGKLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-14-11(8-10-4-2-3-7-19(10)14)13(18-17-9)12(16)5-6-15/h8,12H,2-7,15-16H2,1H3.
What are the key properties of 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine?
1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-1-yl)propane-1,3-diamine is sourced from PubChem (CID 67629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).