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

C8H13N3 — CID 45121281

IUPAC2-methyl-4,5,6,7-tetrahydroindazol-5-amine
SMILESCn1cc2c(n1)CCC(N)C2
InChIInChI=1S/C8H13N3/c1-11-5-6-4-7(9)2-3-8(6)10-11/h5,7H,2-4,9H2,1H3
InChIKeyXPDJVFIJEUVYRF-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.24
Rot. Bonds

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

2-methyl-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 45121281) 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-5-amine.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID45121281
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-methyl-4,5,6,7-tetrahydroindazol-5-amine
SMILESCn1cc2c(n1)CCC(N)C2
InChIInChI=1S/C8H13N3/c1-11-5-6-4-7(9)2-3-8(6)10-11/h5,7H,2-4,9H2,1H3
InChIKeyXPDJVFIJEUVYRF-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
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-5-amine?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazol-5-amine (CID 45121281) is 2-methyl-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroindazol-5-amine is Cn1cc2c(n1)CCC(N)C2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is XPDJVFIJEUVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-5-6-4-7(9)2-3-8(6)10-11/h5,7H,2-4,9H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroindazol-5-amine?
2-methyl-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 151.21 g/mol, XLogP of 0.24, 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-5-amine is sourced from PubChem (CID 45121281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).