5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol

C11H17N5O — CID 107269269

IUPAC5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
SMILESCc1nnc2c(NCCCC(C)O)nccn12
InChIInChI=1S/C11H17N5O/c1-8(17)4-3-5-12-10-11-15-14-9(2)16(11)7-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,12,13)
InChIKeyCUBAMRBSGAMRFR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds5

About 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol

5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol (PubChem CID 107269269) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
PubChem CID107269269
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
SMILESCc1nnc2c(NCCCC(C)O)nccn12
InChIInChI=1S/C11H17N5O/c1-8(17)4-3-5-12-10-11-15-14-9(2)16(11)7-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,12,13)
InChIKeyCUBAMRBSGAMRFR-UHFFFAOYSA-N
XLogP1.01
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048654
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
CID 82684004
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
N-(4-chlorobutan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83187746
N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104626388
3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103729169
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
CID 115677808
N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113338962
2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine
CID 115310106
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol (CID 107269269) is 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol is Cc1nnc2c(NCCCC(C)O)nccn12.
What is the InChIKey of 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol?
The InChIKey is CUBAMRBSGAMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(17)4-3-5-12-10-11-15-14-9(2)16(11)7-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol?
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).