3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile

C16H14N6 — CID 133283472

IUPAC3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C16H14N6/c17-9-15-16(20-6-5-19-15)21-10-13-1-3-14(4-2-13)11-22-8-7-18-12-22/h1-8,12H,10-11H2,(H,20,21)
InChIKeyOEVWLVRFZPGIKJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.21
Rot. Bonds5

About 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile

3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133283472) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133283472
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C16H14N6/c17-9-15-16(20-6-5-19-15)21-10-13-1-3-14(4-2-13)11-22-8-7-18-12-22/h1-8,12H,10-11H2,(H,20,21)
InChIKeyOEVWLVRFZPGIKJ-UHFFFAOYSA-N
XLogP2.21
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243
3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283250
4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-(trifluoromethyl)benzonitrile
CID 133359179
N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133284759
2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine
CID 133371371
6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
CID 133359214
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 105358018
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133318037
3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 104577496
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile (CID 133283472) is 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is OEVWLVRFZPGIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-9-15-16(20-6-5-19-15)21-10-13-1-3-14(4-2-13)11-22-8-7-18-12-22/h1-8,12H,10-11H2,(H,20,21).
What are the key properties of 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).