N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine

C15H13N3O2 — CID 3822987

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine
SMILESc1cc2c(cc1CNc1ccc3cn[nH]c3c1)OCO2
InChIInChI=1S/C15H13N3O2/c1-4-14-15(20-9-19-14)5-10(1)7-16-12-3-2-11-8-17-18-13(11)6-12/h1-6,8,16H,7,9H2,(H,17,18)
InChIKeyVGITVTJAMWUHQC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.90
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine

N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine (PubChem CID 3822987) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine
PubChem CID3822987
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine
SMILESc1cc2c(cc1CNc1ccc3cn[nH]c3c1)OCO2
InChIInChI=1S/C15H13N3O2/c1-4-14-15(20-9-19-14)5-10(1)7-16-12-3-2-11-8-17-18-13(11)6-12/h1-6,8,16H,7,9H2,(H,17,18)
InChIKeyVGITVTJAMWUHQC-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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Related Compounds

4-((1H-indazol-6-ylamino)methyl)benzene-1,2-diol
CID 43743432
1-[6-(4-Benzyl-piperidin-1-ylmethyl)-benzo[1,3]dioxol-5-yl]-3-(1H-indazol-6-yl)-urea
CID 23497297
N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine
CID 784352
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-5-methyl-1H-indazol-3-amine
CID 44405481
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-1H-indazol-3-amine
CID 44405517
3-N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-3-N-methylbenzene-1,3-diamine
CID 21877291
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-pyridin-4-yl-1H-indazole
CID 22978132
Sbb027123
CID 1477766
N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669427
N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-1H-indazol-3-amine
CID 164628833
Cambridge id 5457537
CID 784181

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine (CID 3822987) is N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine is c1cc2c(cc1CNc1ccc3cn[nH]c3c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine?
The InChIKey is VGITVTJAMWUHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-4-14-15(20-9-19-14)5-10(1)7-16-12-3-2-11-8-17-18-13(11)6-12/h1-6,8,16H,7,9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine?
N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-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-5-ylmethyl)-1H-indazol-6-amine is sourced from PubChem (CID 3822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).