3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol

C11H18N6O — CID 66270247

IUPAC3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1n[nH]c(C)c1NCc1cn(CCCO)nn1
InChIInChI=1S/C11H18N6O/c1-8-11(9(2)14-13-8)12-6-10-7-17(16-15-10)4-3-5-18/h7,12,18H,3-6H2,1-2H3,(H,13,14)
InChIKeyNVQSIUGJLAURMV-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.61
Rot. Bonds6

About 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270247) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66270247
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1n[nH]c(C)c1NCc1cn(CCCO)nn1
InChIInChI=1S/C11H18N6O/c1-8-11(9(2)14-13-8)12-6-10-7-17(16-15-10)4-3-5-18/h7,12,18H,3-6H2,1-2H3,(H,13,14)
InChIKeyNVQSIUGJLAURMV-UHFFFAOYSA-N
XLogP0.61
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol with MolForge

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Related Compounds

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 66268917
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 79055183
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269517
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol (CID 66270247) is 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol is Cc1n[nH]c(C)c1NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is NVQSIUGJLAURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8-11(9(2)14-13-8)12-6-10-7-17(16-15-10)4-3-5-18/h7,12,18H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 250.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).