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

C14H24N6 — CID 64578836

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN1CCn2cnnc2C1
InChIInChI=1S/C14H24N6/c1-3-16-14(2,11-15)6-4-5-7-19-8-9-20-12-17-18-13(20)10-19/h12,16H,3-10H2,1-2H3
InChIKeyKHNLOVNXZKXADM-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.16
Rot. Bonds7

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

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile (PubChem CID 64578836) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
PubChem CID64578836
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN1CCn2cnnc2C1
InChIInChI=1S/C14H24N6/c1-3-16-14(2,11-15)6-4-5-7-19-8-9-20-12-17-18-13(20)10-19/h12,16H,3-10H2,1-2H3
InChIKeyKHNLOVNXZKXADM-UHFFFAOYSA-N
XLogP1.16
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 63026298
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
CID 64575350
1-amino-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylbutan-2-ol
CID 64819132
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64579080
2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 102745446
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
CID 64577174
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)propan-1-amine
CID 64576117

Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile (CID 64578836) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile is CCNC(C)(C#N)CCCCN1CCn2cnnc2C1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile?
The InChIKey is KHNLOVNXZKXADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-3-16-14(2,11-15)6-4-5-7-19-8-9-20-12-17-18-13(20)10-19/h12,16H,3-10H2,1-2H3.
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile has a molecular weight of 276.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile is sourced from PubChem (CID 64578836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).