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

C13H17N3O — CID 22496603

IUPAC1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine
SMILESCC(N)Cn1ncc2ccc3c(c21)CCCO3
InChIInChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyFJRIVFVALIEIOY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds2

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

1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine (PubChem CID 22496603) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine
PubChem CID22496603
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine
SMILESCC(N)Cn1ncc2ccc3c(c21)CCCO3
InChIInChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyFJRIVFVALIEIOY-UHFFFAOYSA-N
XLogP1.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
The IUPAC name of 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine (CID 22496603) is 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine is CC(N)Cn1ncc2ccc3c(c21)CCCO3.
What is the InChIKey of 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
The InChIKey is FJRIVFVALIEIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3.
What are the key properties of 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine is sourced from PubChem (CID 22496603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).