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

C14H25N5 — CID 79848006

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCCCC1(CN)N1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-13(2)5-3-4-6-14(13,10-15)19-8-7-18-11-16-17-12(18)9-19/h11H,3-10,15H2,1-2H3
InChIKeyRSUWCVPBVBIOTL-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.39
Rot. Bonds2

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

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine (PubChem CID 79848006) 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)-2,2-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine
PubChem CID79848006
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)-2,2-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCCCC1(CN)N1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-13(2)5-3-4-6-14(13,10-15)19-8-7-18-11-16-17-12(18)9-19/h11H,3-10,15H2,1-2H3
InChIKeyRSUWCVPBVBIOTL-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine (CID 79848006) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine is CC1(C)CCCCC1(CN)N1CCn2cnnc2C1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine?
The InChIKey is RSUWCVPBVBIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13(2)5-3-4-6-14(13,10-15)19-8-7-18-11-16-17-12(18)9-19/h11H,3-10,15H2,1-2H3.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine has a molecular weight of 263.39 g/mol, XLogP of 1.39, 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)-2,2-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 79848006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).