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

C10H17N3 — CID 104704113

IUPAC2-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCn1cc2c(n1)CCCC2N
InChIInChI=1S/C10H17N3/c1-2-6-13-7-8-9(11)4-3-5-10(8)12-13/h7,9H,2-6,11H2,1H3
InChIKeyGCSYAGNSVSTXBV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.63
Rot. Bonds2

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

2-propyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 104704113) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-propyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name2-propyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID104704113
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCn1cc2c(n1)CCCC2N
InChIInChI=1S/C10H17N3/c1-2-6-13-7-8-9(11)4-3-5-10(8)12-13/h7,9H,2-6,11H2,1H3
InChIKeyGCSYAGNSVSTXBV-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 2-propyl-4,5,6,7-tetrahydroindazol-4-amine (CID 104704113) is 2-propyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 2-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 2-propyl-4,5,6,7-tetrahydroindazol-4-amine is CCCn1cc2c(n1)CCCC2N.
What is the InChIKey of 2-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GCSYAGNSVSTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-6-13-7-8-9(11)4-3-5-10(8)12-13/h7,9H,2-6,11H2,1H3.
What are the key properties of 2-propyl-4,5,6,7-tetrahydroindazol-4-amine?
2-propyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 104704113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).