3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile

C14H21N5 — CID 133491690

IUPAC3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile
SMILESCN(C)CC1(CNc2nccnc2C#N)CCCC1
InChIInChI=1S/C14H21N5/c1-19(2)11-14(5-3-4-6-14)10-18-13-12(9-15)16-7-8-17-13/h7-8H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyNVYUDJFWEXGLHF-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.88
Rot. Bonds5

About 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile

3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133491690) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133491690
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile
SMILESCN(C)CC1(CNc2nccnc2C#N)CCCC1
InChIInChI=1S/C14H21N5/c1-19(2)11-14(5-3-4-6-14)10-18-13-12(9-15)16-7-8-17-13/h7-8H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyNVYUDJFWEXGLHF-UHFFFAOYSA-N
XLogP1.88
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile (CID 133491690) is 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile is CN(C)CC1(CNc2nccnc2C#N)CCCC1.
What is the InChIKey of 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is NVYUDJFWEXGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-19(2)11-14(5-3-4-6-14)10-18-13-12(9-15)16-7-8-17-13/h7-8H,3-6,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile?
3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).