5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile

C11H14N4 — CID 104917836

IUPAC5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
SMILESCCC1(CNc2cnc(C#N)cn2)CC1
InChIInChI=1S/C11H14N4/c1-2-11(3-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyDVOYPVWZQTYJIJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.95
Rot. Bonds4

About 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile

5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 104917836) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
PubChem CID104917836
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
SMILESCCC1(CNc2cnc(C#N)cn2)CC1
InChIInChI=1S/C11H14N4/c1-2-11(3-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyDVOYPVWZQTYJIJ-UHFFFAOYSA-N
XLogP1.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736862
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
N-[(1-ethylcyclopropyl)methyl]-5-methylpyridin-2-amine
CID 103736819
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 102562655
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
6-N-ethyl-2-N-[(1-ethylcyclopropyl)methyl]pyrazine-2,6-diamine
CID 103736833
2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
CID 65226638

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile (CID 104917836) is 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile is CCC1(CNc2cnc(C#N)cn2)CC1.
What is the InChIKey of 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is DVOYPVWZQTYJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-11(3-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile?
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104917836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).