1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine

C14H23N3O — CID 43254689

IUPAC1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)C1CCCO1
InChIInChI=1S/C14H23N3O/c1-10(14-7-4-8-18-14)16-12-5-3-6-13-11(12)9-15-17(13)2/h9-10,12,14,16H,3-8H2,1-2H3
InChIKeyXEJWLVYZQRBRSZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254689) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254689
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)C1CCCO1
InChIInChI=1S/C14H23N3O/c1-10(14-7-4-8-18-14)16-12-5-3-6-13-11(12)9-15-17(13)2/h9-10,12,14,16H,3-8H2,1-2H3
InChIKeyXEJWLVYZQRBRSZ-UHFFFAOYSA-N
XLogP1.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43254689) is 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is CC(NC1CCCc2c1cnn2C)C1CCCO1.
What is the InChIKey of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is XEJWLVYZQRBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(14-7-4-8-18-14)16-12-5-3-6-13-11(12)9-15-17(13)2/h9-10,12,14,16H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).