2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile

C15H17N5 — CID 80822691

IUPAC2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
SMILESCCCNc1cncc(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-2-9-18-14-10-17-11-15(20-14)19-13-5-3-12(4-6-13)7-8-16/h3-6,10-11H,2,7,9H2,1H3,(H2,18,19,20)
InChIKeyYBYQLOFWOKHBJT-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.11
Rot. Bonds6

About 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile

2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile (PubChem CID 80822691) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
PubChem CID80822691
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
SMILESCCCNc1cncc(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-2-9-18-14-10-17-11-15(20-14)19-13-5-3-12(4-6-13)7-8-16/h3-6,10-11H,2,7,9H2,1H3,(H2,18,19,20)
InChIKeyYBYQLOFWOKHBJT-UHFFFAOYSA-N
XLogP3.11
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
CID 104850186
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile (CID 80822691) is 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile is CCCNc1cncc(Nc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile?
The InChIKey is YBYQLOFWOKHBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-9-18-14-10-17-11-15(20-14)19-13-5-3-12(4-6-13)7-8-16/h3-6,10-11H,2,7,9H2,1H3,(H2,18,19,20).
What are the key properties of 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile?
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile has a molecular weight of 267.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 80822691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).