3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine

C16H14N6 — CID 141267876

IUPAC3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
SMILESNc1ncc(C2=CC=NCC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N6/c17-15-14(16-21-11-3-1-2-4-12(11)22-16)20-13(9-19-15)10-5-7-18-8-6-10/h1-5,7,9H,6,8H2,(H2,17,19)(H,21,22)
InChIKeyAGMQTLJHHOPJHR-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.46
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine

3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine (PubChem CID 141267876) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
PubChem CID141267876
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
SMILESNc1ncc(C2=CC=NCC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N6/c17-15-14(16-21-11-3-1-2-4-12(11)22-16)20-13(9-19-15)10-5-7-18-8-6-10/h1-5,7,9H,6,8H2,(H2,17,19)(H,21,22)
InChIKeyAGMQTLJHHOPJHR-UHFFFAOYSA-N
XLogP2.46
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745574
[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen
CID 158542587
4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-4-oxobutanoic acid
CID 91006690
3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745302
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
CID 66745483
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone;molecular hydrogen
CID 159470106
tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 66744919
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158278038

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine (CID 141267876) is 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine is Nc1ncc(C2=CC=NCC2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine?
The InChIKey is AGMQTLJHHOPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-15-14(16-21-11-3-1-2-4-12(11)22-16)20-13(9-19-15)10-5-7-18-8-6-10/h1-5,7,9H,6,8H2,(H2,17,19)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine?
3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 141267876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).