3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine

C11H19N3 — CID 82401679

IUPAC3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
SMILESCC1CCc2[nH]nc(CCCN)c2C1
InChIInChI=1S/C11H19N3/c1-8-4-5-11-9(7-8)10(13-14-11)3-2-6-12/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyFRQLDWDKWPZLQY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds3

About 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine

3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine (PubChem CID 82401679) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
PubChem CID82401679
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
SMILESCC1CCc2[nH]nc(CCCN)c2C1
InChIInChI=1S/C11H19N3/c1-8-4-5-11-9(7-8)10(13-14-11)3-2-6-12/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyFRQLDWDKWPZLQY-UHFFFAOYSA-N
XLogP1.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine (CID 82401679) is 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine is CC1CCc2[nH]nc(CCCN)c2C1.
What is the InChIKey of 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine?
The InChIKey is FRQLDWDKWPZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-4-5-11-9(7-8)10(13-14-11)3-2-6-12/h8H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine?
3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine is sourced from PubChem (CID 82401679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).