3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol

C10H15N5O — CID 115886194

IUPAC3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol
SMILESCC(O)C(C)(C)Nc1nccn2cnnc12
InChIInChI=1S/C10H15N5O/c1-7(16)10(2,3)13-8-9-14-12-6-15(9)5-4-11-8/h4-7,16H,1-3H3,(H,11,13)
InChIKeyAJGGNHUURLMFGS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.70
Rot. Bonds3

About 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol

3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol (PubChem CID 115886194) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol
PubChem CID115886194
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol
SMILESCC(O)C(C)(C)Nc1nccn2cnnc12
InChIInChI=1S/C10H15N5O/c1-7(16)10(2,3)13-8-9-14-12-6-15(9)5-4-11-8/h4-7,16H,1-3H3,(H,11,13)
InChIKeyAJGGNHUURLMFGS-UHFFFAOYSA-N
XLogP0.70
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
CID 65226260
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol
CID 104858583
N-(4-chlorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83186917
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
CID 81077970
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
CID 113245597
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166
N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104624030
N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115663445
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113245585
2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113347556

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol?
The IUPAC name of 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol (CID 115886194) is 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol?
The canonical SMILES for 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol is CC(O)C(C)(C)Nc1nccn2cnnc12.
What is the InChIKey of 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol?
The InChIKey is AJGGNHUURLMFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(16)10(2,3)13-8-9-14-12-6-15(9)5-4-11-8/h4-7,16H,1-3H3,(H,11,13).
What are the key properties of 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol?
3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol has a molecular weight of 221.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol is sourced from PubChem (CID 115886194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).