5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile

C10H11N7 — CID 80682826

IUPAC5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCn1cnc(CCNc2cnc(C#N)cn2)n1
InChIInChI=1S/C10H11N7/c1-17-7-15-9(16-17)2-3-12-10-6-13-8(4-11)5-14-10/h5-7H,2-3H2,1H3,(H,12,14)
InChIKeyKBSKNFKBAASRHC-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.13
Rot. Bonds4

About 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile

5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 80682826) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID80682826
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCn1cnc(CCNc2cnc(C#N)cn2)n1
InChIInChI=1S/C10H11N7/c1-17-7-15-9(16-17)2-3-12-10-6-13-8(4-11)5-14-10/h5-7H,2-3H2,1H3,(H,12,14)
InChIKeyKBSKNFKBAASRHC-UHFFFAOYSA-N
XLogP0.13
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile (CID 80682826) is 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile is Cn1cnc(CCNc2cnc(C#N)cn2)n1.
What is the InChIKey of 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is KBSKNFKBAASRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1-17-7-15-9(16-17)2-3-12-10-6-13-8(4-11)5-14-10/h5-7H,2-3H2,1H3,(H,12,14).
What are the key properties of 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 229.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 80682826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).