3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile

C9H13N5 — CID 102986461

IUPAC3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)c1nccnc1N
InChIInChI=1S/C9H13N5/c1-7(3-4-10)14(2)9-8(11)12-5-6-13-9/h5-7H,3H2,1-2H3,(H2,11,12)
InChIKeyXMBDOXIYFWBEOO-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.80
Rot. Bonds3

About 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile

3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile (PubChem CID 102986461) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile
PubChem CID102986461
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)c1nccnc1N
InChIInChI=1S/C9H13N5/c1-7(3-4-10)14(2)9-8(11)12-5-6-13-9/h5-7H,3H2,1-2H3,(H2,11,12)
InChIKeyXMBDOXIYFWBEOO-UHFFFAOYSA-N
XLogP0.80
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643
3-[(3-amino-5-bromo-2-pyridinyl)-methylamino]butanenitrile
CID 63225630
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
CID 103385220
3-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanenitrile
CID 63228649
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
3-(4-amino-2,6-difluoro-N-methylanilino)butanenitrile
CID 63225579
3-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 79073009
3-N-(1-cyclopropylethyl)-3-N-methylpyrazine-2,3-diamine
CID 102985531
3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile
CID 62685730
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
CID 104729977

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile?
The IUPAC name of 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile (CID 102986461) is 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile is CC(CC#N)N(C)c1nccnc1N.
What is the InChIKey of 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile?
The InChIKey is XMBDOXIYFWBEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(3-4-10)14(2)9-8(11)12-5-6-13-9/h5-7H,3H2,1-2H3,(H2,11,12).
What are the key properties of 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile?
3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile has a molecular weight of 191.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile is sourced from PubChem (CID 102986461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).