4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium

C15H20N3+ — CID 21476938

IUPAC4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)Cc1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C15H20N3/c1-18(2,3)10-14-13-9-8-11-6-4-5-7-12(11)15(13)17-16-14/h4-7H,8-10H2,1-3H3,(H,16,17)/q+1
InChIKeyYPHUADHXOJNIOL-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.38
Rot. Bonds2

About 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium

4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium (PubChem CID 21476938) has the molecular formula C15H20N3+ and a molecular weight of 242.35 g/mol. Its IUPAC name is 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium.

Molecular Properties

Compound Name4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium
PubChem CID21476938
Molecular FormulaC15H20N3+
Molecular Weight242.35 g/mol
Exact Mass242.17
IUPAC Name4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)Cc1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C15H20N3/c1-18(2,3)10-14-13-9-8-11-6-4-5-7-12(11)15(13)17-16-14/h4-7H,8-10H2,1-3H3,(H,16,17)/q+1
InChIKeyYPHUADHXOJNIOL-UHFFFAOYSA-N
XLogP2.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
CID 132282552
7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-indazole
CID 6544456
(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10659359
(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10776394
(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10801801
Phenethyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 44316827
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-3-(4-methylphenyl)-,dihydrochloride
CID 76850833
4,5,6,7-Tetrahydro-3-phenyl-1H-indazole
CID 120034
4,5-dihydro-1H-benzo(g)indazole
CID 3398588
5-Ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 45265533
N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine
CID 10752767

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium?
The IUPAC name of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium (CID 21476938) is 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium.
What is the SMILES notation for 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium?
The canonical SMILES for 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium is C[N+](C)(C)Cc1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium?
The InChIKey is YPHUADHXOJNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N3/c1-18(2,3)10-14-13-9-8-11-6-4-5-7-12(11)15(13)17-16-14/h4-7H,8-10H2,1-3H3,(H,16,17)/q+1.
What are the key properties of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium?
4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium has a molecular weight of 242.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl(trimethyl)azanium is sourced from PubChem (CID 21476938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).