3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile

C12H16N4 — CID 107413310

IUPAC3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
SMILESCC1CCC(CNc2nccnc2C#N)C1
InChIInChI=1S/C12H16N4/c1-9-2-3-10(6-9)8-16-12-11(7-13)14-4-5-15-12/h4-5,9-10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyDFDKJEGFENMICL-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.20
Rot. Bonds3

About 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile

3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 107413310) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
PubChem CID107413310
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
SMILESCC1CCC(CNc2nccnc2C#N)C1
InChIInChI=1S/C12H16N4/c1-9-2-3-10(6-9)8-16-12-11(7-13)14-4-5-15-12/h4-5,9-10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyDFDKJEGFENMICL-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 66005273
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64911460
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
3-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284176
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
CID 55210942
5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414024

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile (CID 107413310) is 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile is CC1CCC(CNc2nccnc2C#N)C1.
What is the InChIKey of 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is DFDKJEGFENMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-2-3-10(6-9)8-16-12-11(7-13)14-4-5-15-12/h4-5,9-10H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107413310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).