4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine

C8H13N3 — CID 11309600

IUPAC4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine
SMILESNCC1CCc2[nH]ncc2C1
InChIInChI=1S/C8H13N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11)
InChIKeyWHACGQRDMGNJBO-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.47
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine

4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine (PubChem CID 11309600) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine
PubChem CID11309600
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine
SMILESNCC1CCc2[nH]ncc2C1
InChIInChI=1S/C8H13N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11)
InChIKeyWHACGQRDMGNJBO-UHFFFAOYSA-N
XLogP0.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine (CID 11309600) is 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine is NCC1CCc2[nH]ncc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine?
The InChIKey is WHACGQRDMGNJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine?
4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine is sourced from PubChem (CID 11309600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).