5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile

C14H11N7 — CID 133290976

IUPAC5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCc2ccnc(-n3cccn3)c2)cn1
InChIInChI=1S/C14H11N7/c15-7-12-9-19-13(10-17-12)18-8-11-2-4-16-14(6-11)21-5-1-3-20-21/h1-6,9-10H,8H2,(H,18,19)
InChIKeyLSAVXLADWSCOGN-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.54
Rot. Bonds4

About 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile

5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 133290976) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
PubChem CID133290976
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCc2ccnc(-n3cccn3)c2)cn1
InChIInChI=1S/C14H11N7/c15-7-12-9-19-13(10-17-12)18-8-11-2-4-16-14(6-11)21-5-1-3-20-21/h1-6,9-10H,8H2,(H,18,19)
InChIKeyLSAVXLADWSCOGN-UHFFFAOYSA-N
XLogP1.54
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile (CID 133290976) is 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCc2ccnc(-n3cccn3)c2)cn1.
What is the InChIKey of 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is LSAVXLADWSCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c15-7-12-9-19-13(10-17-12)18-8-11-2-4-16-14(6-11)21-5-1-3-20-21/h1-6,9-10H,8H2,(H,18,19).
What are the key properties of 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile?
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).