[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol

C13H17N3O3 — CID 11666121

IUPAC[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol
SMILESC[C@H](N)Cn1ncc2ccc3c(c21)OC(CO)CO3
InChIInChI=1S/C13H17N3O3/c1-8(14)5-16-12-9(4-15-16)2-3-11-13(12)19-10(6-17)7-18-11/h2-4,8,10,17H,5-7,14H2,1H3/t8-,10?/m0/s1
InChIKeyAXJDHUMGESJCSI-PEHGTWAWSA-N
MW263.30 g/mol
LogP0.52
Rot. Bonds3

About [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol

[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol (PubChem CID 11666121) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol.

Molecular Properties

Compound Name[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol
PubChem CID11666121
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol
SMILESC[C@H](N)Cn1ncc2ccc3c(c21)OC(CO)CO3
InChIInChI=1S/C13H17N3O3/c1-8(14)5-16-12-9(4-15-16)2-3-11-13(12)19-10(6-17)7-18-11/h2-4,8,10,17H,5-7,14H2,1H3/t8-,10?/m0/s1
InChIKeyAXJDHUMGESJCSI-PEHGTWAWSA-N
XLogP0.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol?
The IUPAC name of [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol (CID 11666121) is [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol.
What is the SMILES notation for [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol?
The canonical SMILES for [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol is C[C@H](N)Cn1ncc2ccc3c(c21)OC(CO)CO3.
What is the InChIKey of [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol?
The InChIKey is AXJDHUMGESJCSI-PEHGTWAWSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(14)5-16-12-9(4-15-16)2-3-11-13(12)19-10(6-17)7-18-11/h2-4,8,10,17H,5-7,14H2,1H3/t8-,10?/m0/s1.
What are the key properties of [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol?
[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol has a molecular weight of 263.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol is sourced from PubChem (CID 11666121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).