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

C12H21N5O — CID 64574977

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1N1CCn2cnnc2C1
InChIInChI=1S/C12H21N5O/c1-2-13-10-3-6-18-8-11(10)16-4-5-17-9-14-15-12(17)7-16/h9-11,13H,2-8H2,1H3
InChIKeyPPUQVHMJUGVFHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.14
Rot. Bonds3

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine (PubChem CID 64574977) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine
PubChem CID64574977
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1N1CCn2cnnc2C1
InChIInChI=1S/C12H21N5O/c1-2-13-10-3-6-18-8-11(10)16-4-5-17-9-14-15-12(17)7-16/h9-11,13H,2-8H2,1H3
InChIKeyPPUQVHMJUGVFHY-UHFFFAOYSA-N
XLogP-0.14
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
N-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxan-4-amine
CID 64574770
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxan-4-amine
CID 64575527
3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]morpholine
CID 65546714
3-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine
CID 80417403
2-fluoro-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxan-3-amine
CID 126857077
(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine
CID 143583690
10-Oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene
CID 90416710
4-[2-(5-Methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
CID 141027534
4-Oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 144713674

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine (CID 64574977) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine is CCNC1CCOCC1N1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine?
The InChIKey is PPUQVHMJUGVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-13-10-3-6-18-8-11(10)16-4-5-17-9-14-15-12(17)7-16/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine has a molecular weight of 251.33 g/mol, XLogP of -0.14, 3 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-yl)-N-ethyloxan-4-amine is sourced from PubChem (CID 64574977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).