(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine

C9H15N3 — CID 28808663

IUPAC(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine
SMILESCn1nc(CN)c2c1CCCC2
InChIInChI=1S/C9H15N3/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-6,10H2,1H3
InChIKeyXNGHXSWRWARUCX-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.76
Rot. Bonds1

About (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine

(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine (PubChem CID 28808663) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine
PubChem CID28808663
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine
SMILESCn1nc(CN)c2c1CCCC2
InChIInChI=1S/C9H15N3/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-6,10H2,1H3
InChIKeyXNGHXSWRWARUCX-UHFFFAOYSA-N
XLogP0.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
The IUPAC name of (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine (CID 28808663) is (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine.
What is the SMILES notation for (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
The canonical SMILES for (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine is Cn1nc(CN)c2c1CCCC2.
What is the InChIKey of (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
The InChIKey is XNGHXSWRWARUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-6,10H2,1H3.
What are the key properties of (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanamine is sourced from PubChem (CID 28808663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).