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

C13H23N5O — CID 103060355

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN1CCn2cnnc2C1
InChIInChI=1S/C13H23N5O/c1-2-14-12-3-6-19-9-11(12)7-17-4-5-18-10-15-16-13(18)8-17/h10-12,14H,2-9H2,1H3
InChIKeyVNAXIEFYRREXOE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.11
Rot. Bonds4

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine (PubChem CID 103060355) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine
PubChem CID103060355
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN1CCn2cnnc2C1
InChIInChI=1S/C13H23N5O/c1-2-14-12-3-6-19-9-11(12)7-17-4-5-18-10-15-16-13(18)8-17/h10-12,14H,2-9H2,1H3
InChIKeyVNAXIEFYRREXOE-UHFFFAOYSA-N
XLogP0.11
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcyclopentan-1-amine
CID 64578664
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-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79843318
7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576294
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-yl)-N-ethylcyclopentan-1-amine
CID 64574792
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol
CID 64580024
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
CID 64578856
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine (CID 103060355) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine is CCNC1CCOCC1CN1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine?
The InChIKey is VNAXIEFYRREXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-14-12-3-6-19-9-11(12)7-17-4-5-18-10-15-16-13(18)8-17/h10-12,14H,2-9H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine has a molecular weight of 265.36 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine is sourced from PubChem (CID 103060355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).