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

C12H23N5O — CID 106675718

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCn2cnnc2C1
InChIInChI=1S/C12H23N5O/c1-12(2,18-3)6-10(7-13)16-4-5-17-9-14-15-11(17)8-16/h9-10H,4-8,13H2,1-3H3
InChIKeyOQZAMKQPXMQDOZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.24
Rot. Bonds5

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 106675718) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID106675718
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCn2cnnc2C1
InChIInChI=1S/C12H23N5O/c1-12(2,18-3)6-10(7-13)16-4-5-17-9-14-15-11(17)8-16/h9-10H,4-8,13H2,1-3H3
InChIKeyOQZAMKQPXMQDOZ-UHFFFAOYSA-N
XLogP0.24
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
3-Methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81252445
4-methoxy-3-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-amine
CID 116501783
6-(2-Methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 156542245
4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
CID 43702840
4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
CID 61003314
1-(4-Cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62710743
4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
CID 63328678
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 63740550
2,2-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 64099869
2-ethyl-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
CID 64101827
2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
CID 64102025

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine (CID 106675718) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CC(CN)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is OQZAMKQPXMQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-12(2,18-3)6-10(7-13)16-4-5-17-9-14-15-11(17)8-16/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 106675718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).