1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

C13H21N3O — CID 43254603

IUPAC1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCC1CCCO1
InChIInChI=1S/C13H21N3O/c1-16-13-6-2-5-12(11(13)9-15-16)14-8-10-4-3-7-17-10/h9-10,12,14H,2-8H2,1H3
InChIKeyJSVOSJWDAHWKCS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds3

About 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254603) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254603
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCC1CCCO1
InChIInChI=1S/C13H21N3O/c1-16-13-6-2-5-12(11(13)9-15-16)14-8-10-4-3-7-17-10/h9-10,12,14H,2-8H2,1H3
InChIKeyJSVOSJWDAHWKCS-UHFFFAOYSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 43254603) is 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCC1CCCO1.
What is the InChIKey of 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is JSVOSJWDAHWKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-13-6-2-5-12(11(13)9-15-16)14-8-10-4-3-7-17-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).