2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile

C12H12N4O — CID 91890082

IUPAC2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile
SMILESN#CCn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C12H12N4O/c13-5-6-15-7-8-16-11(12(15)17)9-3-1-2-4-10(9)14-16/h7-8H,1-4,6H2
InChIKeyQCHKVCKGZXKAIH-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.90
Rot. Bonds1

About 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile

2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile (PubChem CID 91890082) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile
PubChem CID91890082
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile
SMILESN#CCn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C12H12N4O/c13-5-6-15-7-8-16-11(12(15)17)9-3-1-2-4-10(9)14-16/h7-8H,1-4,6H2
InChIKeyQCHKVCKGZXKAIH-UHFFFAOYSA-N
XLogP0.90
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(Azepan-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164429
[5-[2-(Diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45488805
1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one
CID 16956491
N-cyclohexyl-N-methyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890131
2-[3-oxo-3-(1,4-thiazinan-4-yl)propyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1(2H)-one
CID 91917271
N-(3-methylbutyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890109
9-methyl-3-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]-3,9-diazaspiro[5.6]dodecane
CID 56740442
1,9-dimethyl-4-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72887277
2-({4-Oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-1-one
CID 91890105
N-(butan-2-yl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890107
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890108
N-Butyl-N-ethyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-2-YL}acetamide
CID 91890110

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile?
The IUPAC name of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile (CID 91890082) is 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile?
The canonical SMILES for 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile is N#CCn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile?
The InChIKey is QCHKVCKGZXKAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-5-6-15-7-8-16-11(12(15)17)9-3-1-2-4-10(9)14-16/h7-8H,1-4,6H2.
What are the key properties of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile?
2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile has a molecular weight of 228.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetonitrile is sourced from PubChem (CID 91890082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).