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

C13H23N3 — CID 23454819

IUPACN,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESCCCN(CCC)C1CCc2cn[nH]c2C1
InChIInChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-6-5-11-10-14-15-13(11)9-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyBEXFLNUPTHLMNQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.39
Rot. Bonds5

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

N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine (PubChem CID 23454819) 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-6-amine.

Molecular Properties

Compound NameN,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine
PubChem CID23454819
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESCCCN(CCC)C1CCc2cn[nH]c2C1
InChIInChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-6-5-11-10-14-15-13(11)9-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyBEXFLNUPTHLMNQ-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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Related Compounds

Quinpirole
CID 54562
(-)-Quinpirole hydrochloride
CID 55397
4,5,6,7-tetrahydro-1H-indazole
CID 75317
Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539719
2H-Indazol-5-amine, N-ethyl-4,5,6,7-tetrahydro-
CID 14539718
5-Propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline
CID 1257
Dipropyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 12898419
(8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 24867528
1H-Pyrazolo(3,4-g)quinoline, 4,4a,5,6,7,8,8a,9-octahydro-5-propyl-, dihydrochloride, trans-(+-)-
CID 3057788
4,5,6,7-tetrahydro-1H-indazol-5-amine dihydrochloride
CID 13036532
5-Propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;dihydrochloride
CID 9994453
Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539725

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine (CID 23454819) is N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine.
What is the SMILES notation for N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The canonical SMILES for N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine is CCCN(CCC)C1CCc2cn[nH]c2C1.
What is the InChIKey of N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The InChIKey is BEXFLNUPTHLMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-6-5-11-10-14-15-13(11)9-12/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-6-amine?
N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-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-6-amine is sourced from PubChem (CID 23454819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).