6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C16H29N5 — CID 79843318

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN2CCn3cnnc3C2)CCCC1(C)C
InChIInChI=1S/C16H29N5/c1-4-17-15-13(6-5-7-16(15,2)3)10-20-8-9-21-12-18-19-14(21)11-20/h12-13,15,17H,4-11H2,1-3H3
InChIKeySFPHYDZSVQDIHK-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.90
Rot. Bonds4

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79843318) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79843318
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN2CCn3cnnc3C2)CCCC1(C)C
InChIInChI=1S/C16H29N5/c1-4-17-15-13(6-5-7-16(15,2)3)10-20-8-9-21-12-18-19-14(21)11-20/h12-13,15,17H,4-11H2,1-3H3
InChIKeySFPHYDZSVQDIHK-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine
CID 64580410
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol
CID 79855825
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcyclopentan-1-amine
CID 64578664
6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79842628
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine
CID 103060355
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine
CID 64577881
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79848489
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114681978
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-4-methylpiperidin-4-ol
CID 81116006
6-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79853171
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
CID 64578856
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol
CID 64580024

Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79843318) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(CN2CCn3cnnc3C2)CCCC1(C)C.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is SFPHYDZSVQDIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-17-15-13(6-5-7-16(15,2)3)10-20-8-9-21-12-18-19-14(21)11-20/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79843318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).