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

C9H17N5O — CID 64576094

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1CCn2cnnc2C1
InChIInChI=1S/C9H17N5O/c1-10-4-8(15)5-13-2-3-14-7-11-12-9(14)6-13/h7-8,10,15H,2-6H2,1H3
InChIKeyRBFMCDUFTGAHHP-UHFFFAOYSA-N
MW211.27 g/mol
LogP-1.33
Rot. Bonds4

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol (PubChem CID 64576094) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol
PubChem CID64576094
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1CCn2cnnc2C1
InChIInChI=1S/C9H17N5O/c1-10-4-8(15)5-13-2-3-14-7-11-12-9(14)6-13/h7-8,10,15H,2-6H2,1H3
InChIKeyRBFMCDUFTGAHHP-UHFFFAOYSA-N
XLogP-1.33
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
CID 64576855
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol
CID 64578834
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 64575724
7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 65013050
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
CID 64575350
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol
CID 64579638
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64826630
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
CID 64575346
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 64580033

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol (CID 64576094) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol is CNCC(O)CN1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol?
The InChIKey is RBFMCDUFTGAHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-10-4-8(15)5-13-2-3-14-7-11-12-9(14)6-13/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol has a molecular weight of 211.27 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 64576094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).