N-(1H-indazol-7-ylmethyl)oxolan-3-amine

C12H15N3O — CID 115910621

IUPACN-(1H-indazol-7-ylmethyl)oxolan-3-amine
SMILESc1cc(CNC2CCOC2)c2[nH]ncc2c1
InChIInChI=1S/C12H15N3O/c1-2-9(6-13-11-4-5-16-8-11)12-10(3-1)7-14-15-12/h1-3,7,11,13H,4-6,8H2,(H,14,15)
InChIKeyOVOJJEIGONVGON-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.44
Rot. Bonds3

About N-(1H-indazol-7-ylmethyl)oxolan-3-amine

N-(1H-indazol-7-ylmethyl)oxolan-3-amine (PubChem CID 115910621) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)oxolan-3-amine
PubChem CID115910621
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1H-indazol-7-ylmethyl)oxolan-3-amine
SMILESc1cc(CNC2CCOC2)c2[nH]ncc2c1
InChIInChI=1S/C12H15N3O/c1-2-9(6-13-11-4-5-16-8-11)12-10(3-1)7-14-15-12/h1-3,7,11,13H,4-6,8H2,(H,14,15)
InChIKeyOVOJJEIGONVGON-UHFFFAOYSA-N
XLogP1.44
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)oxolan-3-amine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)oxolan-3-amine (CID 115910621) is N-(1H-indazol-7-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)oxolan-3-amine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)oxolan-3-amine is c1cc(CNC2CCOC2)c2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)oxolan-3-amine?
The InChIKey is OVOJJEIGONVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-9(6-13-11-4-5-16-8-11)12-10(3-1)7-14-15-12/h1-3,7,11,13H,4-6,8H2,(H,14,15).
What are the key properties of N-(1H-indazol-7-ylmethyl)oxolan-3-amine?
N-(1H-indazol-7-ylmethyl)oxolan-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 115910621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).