N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine

C9H15N3 — CID 84717090

IUPACN-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
SMILESCNCC1CCc2[nH]ncc2C1
InChIInChI=1S/C9H15N3/c1-10-5-7-2-3-9-8(4-7)6-11-12-9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyHEAGAOSJCYAGRI-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.73
Rot. Bonds2

About N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine

N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine (PubChem CID 84717090) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
PubChem CID84717090
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
SMILESCNCC1CCc2[nH]ncc2C1
InChIInChI=1S/C9H15N3/c1-10-5-7-2-3-9-8(4-7)6-11-12-9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyHEAGAOSJCYAGRI-UHFFFAOYSA-N
XLogP0.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine (CID 84717090) is N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine is CNCC1CCc2[nH]ncc2C1.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine?
The InChIKey is HEAGAOSJCYAGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-10-5-7-2-3-9-8(4-7)6-11-12-9/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine is sourced from PubChem (CID 84717090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).