2-methyl-4,5,6,7-tetrahydroindazol-3-amine

C8H13N3 — CID 52903608

IUPAC2-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc2c(c1N)CCCC2
InChIInChI=1S/C8H13N3/c1-11-8(9)6-4-2-3-5-7(6)10-11/h2-5,9H2,1H3
InChIKeyOOCMJNWYIMBFLU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydroindazol-3-amine

2-methyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 52903608) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID52903608
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc2c(c1N)CCCC2
InChIInChI=1S/C8H13N3/c1-11-8(9)6-4-2-3-5-7(6)10-11/h2-5,9H2,1H3
InChIKeyOOCMJNWYIMBFLU-UHFFFAOYSA-N
XLogP0.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazol-3-amine (CID 52903608) is 2-methyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroindazol-3-amine is Cn1nc2c(c1N)CCCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is OOCMJNWYIMBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-8(9)6-4-2-3-5-7(6)10-11/h2-5,9H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
2-methyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 151.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 52903608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).