1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine

C13H18N4O — CID 22496570

IUPAC1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine
SMILESCC(N)Cn1ncc2ccc3c(c21)CC(N)CO3
InChIInChI=1S/C13H18N4O/c1-8(14)6-17-13-9(5-16-17)2-3-12-11(13)4-10(15)7-18-12/h2-3,5,8,10H,4,6-7,14-15H2,1H3
InChIKeyDEEMZCJFZLXGNK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.65
Rot. Bonds2

About 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine

1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine (PubChem CID 22496570) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine.

Molecular Properties

Compound Name1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine
PubChem CID22496570
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine
SMILESCC(N)Cn1ncc2ccc3c(c21)CC(N)CO3
InChIInChI=1S/C13H18N4O/c1-8(14)6-17-13-9(5-16-17)2-3-12-11(13)4-10(15)7-18-12/h2-3,5,8,10H,4,6-7,14-15H2,1H3
InChIKeyDEEMZCJFZLXGNK-UHFFFAOYSA-N
XLogP0.65
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine?
The IUPAC name of 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine (CID 22496570) is 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine.
What is the SMILES notation for 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine?
The canonical SMILES for 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine is CC(N)Cn1ncc2ccc3c(c21)CC(N)CO3.
What is the InChIKey of 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine?
The InChIKey is DEEMZCJFZLXGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(14)6-17-13-9(5-16-17)2-3-12-11(13)4-10(15)7-18-12/h2-3,5,8,10H,4,6-7,14-15H2,1H3.
What are the key properties of 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine?
1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine has a molecular weight of 246.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine is sourced from PubChem (CID 22496570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).