5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole

C12H22N2 — CID 155188783

IUPAC5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole
SMILESCN1C2CCCCC2C2CCCCN21
InChIInChI=1S/C12H22N2/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-14(12)13/h10-12H,2-9H2,1H3
InChIKeyDRZZHKVZCUUZKE-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.26
Rot. Bonds

About 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole

5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole (PubChem CID 155188783) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole.

Molecular Properties

Compound Name5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole
PubChem CID155188783
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole
SMILESCN1C2CCCCC2C2CCCCN21
InChIInChI=1S/C12H22N2/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-14(12)13/h10-12H,2-9H2,1H3
InChIKeyDRZZHKVZCUUZKE-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole?
The IUPAC name of 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole (CID 155188783) is 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole.
What is the SMILES notation for 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole?
The canonical SMILES for 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole is CN1C2CCCCC2C2CCCCN21.
What is the InChIKey of 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole?
The InChIKey is DRZZHKVZCUUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-14(12)13/h10-12H,2-9H2,1H3.
What are the key properties of 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole?
5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole has a molecular weight of 194.32 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole is sourced from PubChem (CID 155188783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).