3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile

C13H13N5 — CID 102985244

IUPAC3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile
SMILESN#CCCN(c1ccccc1)c1nccnc1N
InChIInChI=1S/C13H13N5/c14-7-4-10-18(11-5-2-1-3-6-11)13-12(15)16-8-9-17-13/h1-3,5-6,8-9H,4,10H2,(H2,15,16)
InChIKeyMVRVLTOEQMLBGK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.11
Rot. Bonds4

About 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile

3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile (PubChem CID 102985244) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile.

Molecular Properties

Compound Name3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile
PubChem CID102985244
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile
SMILESN#CCCN(c1ccccc1)c1nccnc1N
InChIInChI=1S/C13H13N5/c14-7-4-10-18(11-5-2-1-3-6-11)13-12(15)16-8-9-17-13/h1-3,5-6,8-9H,4,10H2,(H2,15,16)
InChIKeyMVRVLTOEQMLBGK-UHFFFAOYSA-N
XLogP2.11
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
3-(N-(5-amino-3-bromo-4-methyl-2-pyridinyl)anilino)propanenitrile
CID 104506211
5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid
CID 81447117
3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile
CID 62940669
3-(N-[4-(chloromethyl)phenyl]anilino)propanenitrile
CID 28946405
3-(N-[5-(chloromethyl)-3-methyl-2-pyridinyl]anilino)propanenitrile
CID 80628426
3-(N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)anilino)propanenitrile
CID 80916506
3-(N-(5-fluoropyrimidin-2-yl)anilino)propanenitrile
CID 104606070
3-(N-(2-methylpyrimidin-4-yl)anilino)propanenitrile
CID 62785654
3-(N-quinolin-4-ylanilino)propanenitrile
CID 61341174
3-(N-(4-amino-1,3-benzoxazol-2-yl)anilino)propanenitrile
CID 79881652
3-(N-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)anilino)propanenitrile
CID 80725914

Frequently Asked Questions

What is the IUPAC name of 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile?
The IUPAC name of 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile (CID 102985244) is 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile.
What is the SMILES notation for 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile?
The canonical SMILES for 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile is N#CCCN(c1ccccc1)c1nccnc1N.
What is the InChIKey of 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile?
The InChIKey is MVRVLTOEQMLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-7-4-10-18(11-5-2-1-3-6-11)13-12(15)16-8-9-17-13/h1-3,5-6,8-9H,4,10H2,(H2,15,16).
What are the key properties of 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile?
3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile has a molecular weight of 239.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile is sourced from PubChem (CID 102985244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).