N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

C13H23N3 — CID 12898419

IUPACN,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCN(CCC)C1CCc2[nH]ncc2C1
InChIInChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-5-6-13-11(9-12)10-14-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyGLKCCTUKWPNZKT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.39
Rot. Bonds5

About N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 12898419) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID12898419
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCN(CCC)C1CCc2[nH]ncc2C1
InChIInChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-5-6-13-11(9-12)10-14-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyGLKCCTUKWPNZKT-UHFFFAOYSA-N
XLogP2.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 12898419) is N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCCN(CCC)C1CCc2[nH]ncc2C1.
What is the InChIKey of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is GLKCCTUKWPNZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-5-6-13-11(9-12)10-14-15-13/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 221.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 12898419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).