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

C14H25N5 — CID 106663173

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-11-6-13(2,3)8-14(11,9-15)19-5-4-18-10-16-17-12(18)7-19/h10-11H,4-9,15H2,1-3H3
InChIKeyKAISEIFZJDVCBK-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.25
Rot. Bonds2

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

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine (PubChem CID 106663173) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
PubChem CID106663173
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-11-6-13(2,3)8-14(11,9-15)19-5-4-18-10-16-17-12(18)7-19/h10-11H,4-9,15H2,1-3H3
InChIKeyKAISEIFZJDVCBK-UHFFFAOYSA-N
XLogP1.25
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine
CID 64576270
[2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentyl]methanamine
CID 65045059
7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 129125990
7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134604692
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine
CID 64574761
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine
CID 64574763
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylcyclohexyl]methanamine
CID 64574764
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine
CID 64574765
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine
CID 64574766
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine
CID 64574767
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethylcyclohexyl]methanamine
CID 64574949
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylcyclohexyl]methanamine
CID 64574954

Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine (CID 106663173) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCn2cnnc2C1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The InChIKey is KAISEIFZJDVCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-6-13(2,3)8-14(11,9-15)19-5-4-18-10-16-17-12(18)7-19/h10-11H,4-9,15H2,1-3H3.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine has a molecular weight of 263.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine is sourced from PubChem (CID 106663173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).