3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile

C13H16N6O — CID 131940037

IUPAC3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
SMILESCC(C)c1nc(CCN(C)c2nccnc2C#N)no1
InChIInChI=1S/C13H16N6O/c1-9(2)13-17-11(18-20-13)4-7-19(3)12-10(8-14)15-5-6-16-12/h5-6,9H,4,7H2,1-3H3
InChIKeyGOSQNLZESGLVPS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.53
Rot. Bonds5

About 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile

3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile (PubChem CID 131940037) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
PubChem CID131940037
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
SMILESCC(C)c1nc(CCN(C)c2nccnc2C#N)no1
InChIInChI=1S/C13H16N6O/c1-9(2)13-17-11(18-20-13)4-7-19(3)12-10(8-14)15-5-6-16-12/h5-6,9H,4,7H2,1-3H3
InChIKeyGOSQNLZESGLVPS-UHFFFAOYSA-N
XLogP1.53
TPSA91.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[methyl(propyl)amino]pyrazine-2-carbonitrile
CID 62685552
3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile
CID 62685730
2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 70705731
3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile
CID 134710205
4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile
CID 56818769
(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91840785
3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
3-[2-methylpropyl(pentan-3-yl)amino]pyrazine-2-carbonitrile
CID 79491028
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
CID 79470228
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
methyl 6-amino-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrimidine-4-carboxylate
CID 154568508
5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 56865070

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile (CID 131940037) is 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile is CC(C)c1nc(CCN(C)c2nccnc2C#N)no1.
What is the InChIKey of 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile?
The InChIKey is GOSQNLZESGLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9(2)13-17-11(18-20-13)4-7-19(3)12-10(8-14)15-5-6-16-12/h5-6,9H,4,7H2,1-3H3.
What are the key properties of 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile?
3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 131940037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).