N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine

C15H13N3O2 — CID 43730810

IUPACN-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine
SMILESc1cc(CNc2cccc3cn[nH]c23)c2c(c1)OCO2
InChIInChI=1S/C15H13N3O2/c1-3-10-8-17-18-14(10)12(5-1)16-7-11-4-2-6-13-15(11)20-9-19-13/h1-6,8,16H,7,9H2,(H,17,18)
InChIKeyCEBSUPCSJGHKFQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.90
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine

N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine (PubChem CID 43730810) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine
PubChem CID43730810
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine
SMILESc1cc(CNc2cccc3cn[nH]c23)c2c(c1)OCO2
InChIInChI=1S/C15H13N3O2/c1-3-10-8-17-18-14(10)12(5-1)16-7-11-4-2-6-13-15(11)20-9-19-13/h1-6,8,16H,7,9H2,(H,17,18)
InChIKeyCEBSUPCSJGHKFQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine (CID 43730810) is N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine is c1cc(CNc2cccc3cn[nH]c23)c2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine?
The InChIKey is CEBSUPCSJGHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-3-10-8-17-18-14(10)12(5-1)16-7-11-4-2-6-13-15(11)20-9-19-13/h1-6,8,16H,7,9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine?
N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine has a molecular weight of 267.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine is sourced from PubChem (CID 43730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).