5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol

C12H19N5O — CID 10467245

IUPAC5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol
SMILESCNc1nc(C)nc2c(CCCCCO)cnn12
InChIInChI=1S/C12H19N5O/c1-9-15-11-10(6-4-3-5-7-18)8-14-17(11)12(13-2)16-9/h8,18H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyYXUQAVSCSHCCIW-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.18
Rot. Bonds6

About 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol

5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol (PubChem CID 10467245) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol
PubChem CID10467245
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol
SMILESCNc1nc(C)nc2c(CCCCCO)cnn12
InChIInChI=1S/C12H19N5O/c1-9-15-11-10(6-4-3-5-7-18)8-14-17(11)12(13-2)16-9/h8,18H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyYXUQAVSCSHCCIW-UHFFFAOYSA-N
XLogP1.18
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.18
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

1-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 24874171
5-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl carbamate
CID 69869366
1-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
CID 130427715
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 10014295
N',N'-dimethyl-N-[5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]ethane-1,2-diamine
CID 10041646
1-[5-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentyl]piperidin-4-ol
CID 10042408
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 10104917
8-(3-aminopropyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10242583
N,2-dimethyl-8-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10334319
N,2-dimethyl-8-(5-piperazin-1-ylpentyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10358465
N,2-dimethyl-8-[5-(4-methylpiperazin-1-yl)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10449392
2-[(2R)-1-[4-[(2-aminopyrimidin-5-yl)methylamino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
CID 11176958

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol?
The IUPAC name of 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol (CID 10467245) is 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol.
What is the SMILES notation for 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol?
The canonical SMILES for 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol is CNc1nc(C)nc2c(CCCCCO)cnn12.
What is the InChIKey of 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol?
The InChIKey is YXUQAVSCSHCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-15-11-10(6-4-3-5-7-18)8-14-17(11)12(13-2)16-9/h8,18H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol?
5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol is sourced from PubChem (CID 10467245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).