2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile

C14H22N6 — CID 64727539

IUPAC2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)N1CCn2cnnc2C1
InChIInChI=1S/C14H22N6/c1-11(7-14(2,9-15)17-12-3-4-12)19-5-6-20-10-16-18-13(20)8-19/h10-12,17H,3-8H2,1-2H3
InChIKeyNYMAFVIYIVFNKR-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.91
Rot. Bonds5

About 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile

2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile (PubChem CID 64727539) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
PubChem CID64727539
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)N1CCn2cnnc2C1
InChIInChI=1S/C14H22N6/c1-11(7-14(2,9-15)17-12-3-4-12)19-5-6-20-10-16-18-13(20)8-19/h10-12,17H,3-8H2,1-2H3
InChIKeyNYMAFVIYIVFNKR-UHFFFAOYSA-N
XLogP0.91
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile (CID 64727539) is 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile is CC(CC(C)(C#N)NC1CC1)N1CCn2cnnc2C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile?
The InChIKey is NYMAFVIYIVFNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-11(7-14(2,9-15)17-12-3-4-12)19-5-6-20-10-16-18-13(20)8-19/h10-12,17H,3-8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile?
2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile has a molecular weight of 274.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile is sourced from PubChem (CID 64727539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).