2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C16H21N3O — CID 163358238

IUPAC2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=c1c2c3c(nn2ccn1CC1CCCC1)CCCC3
InChIInChI=1S/C16H21N3O/c20-16-15-13-7-3-4-8-14(13)17-19(15)10-9-18(16)11-12-5-1-2-6-12/h9-10,12H,1-8,11H2
InChIKeyGECIIQOROFXTIG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.57
Rot. Bonds2

About 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 163358238) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID163358238
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=c1c2c3c(nn2ccn1CC1CCCC1)CCCC3
InChIInChI=1S/C16H21N3O/c20-16-15-13-7-3-4-8-14(13)17-19(15)10-9-18(16)11-12-5-1-2-6-12/h9-10,12H,1-8,11H2
InChIKeyGECIIQOROFXTIG-UHFFFAOYSA-N
XLogP2.57
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 163358238) is 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is O=c1c2c3c(nn2ccn1CC1CCCC1)CCCC3.
What is the InChIKey of 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is GECIIQOROFXTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-15-13-7-3-4-8-14(13)17-19(15)10-9-18(16)11-12-5-1-2-6-12/h9-10,12H,1-8,11H2.
What are the key properties of 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 271.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 163358238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).