2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium

C12H19N2U- — CID 163961556

IUPAC2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium
SMILESC[CH-][C@H](C)CN1CC2C=CC=CC2N1.[U]
InChIInChI=1S/C12H19N2.U/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13-14;/h3-7,10-13H,8-9H2,1-2H3;/q-1;/t10-,11?,12?;/m0./s1
InChIKeyHHSLOPVYHOTLGR-YGKYINHESA-N
MW429.33 g/mol
LogP1.78
Rot. Bonds3

About 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium

2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium (PubChem CID 163961556) has the molecular formula C12H19N2U- and a molecular weight of 429.33 g/mol. Its IUPAC name is 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium.

Molecular Properties

Compound Name2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium
PubChem CID163961556
Molecular FormulaC12H19N2U-
Molecular Weight429.33 g/mol
Exact Mass429.21
IUPAC Name2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium
SMILESC[CH-][C@H](C)CN1CC2C=CC=CC2N1.[U]
InChIInChI=1S/C12H19N2.U/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13-14;/h3-7,10-13H,8-9H2,1-2H3;/q-1;/t10-,11?,12?;/m0./s1
InChIKeyHHSLOPVYHOTLGR-YGKYINHESA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pentyltetrahydroindazole
CID 67804903
1-Pentyl-2,3,3a,7a-tetrahydroindazole
CID 67804902
6-Methyl-2-pentyl-1,3,3a,7a-tetrahydroindazole-3-carbonitrile
CID 70630029
4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine
CID 88560144
1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine
CID 129180685
6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole
CID 142404706
1-methyl-5-[(1Z,3E)-penta-1,3-dienyl]pyrazolidin-1-ium
CID 144141345
2-Methyl-1,3,3a,7a-tetrahydroindazole
CID 147093749
5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole
CID 153311237
3-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 176569570
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 176569746
1-methyl-5-[(1Z,3E)-penta-1,3-dienyl]pyrazolidine
CID 144141346

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium?
The IUPAC name of 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium (CID 163961556) is 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium.
What is the SMILES notation for 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium?
The canonical SMILES for 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium is C[CH-][C@H](C)CN1CC2C=CC=CC2N1.[U].
What is the InChIKey of 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium?
The InChIKey is HHSLOPVYHOTLGR-YGKYINHESA-N. The full InChI is InChI=1S/C12H19N2.U/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13-14;/h3-7,10-13H,8-9H2,1-2H3;/q-1;/t10-,11?,12?;/m0./s1.
What are the key properties of 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium?
2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium has a molecular weight of 429.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium is sourced from PubChem (CID 163961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).