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

C13H22N6O — CID 66269517

IUPAC3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1[nH]ncc1CCCNCc1cn(CCCO)nn1
InChIInChI=1S/C13H22N6O/c1-11-12(8-15-16-11)4-2-5-14-9-13-10-19(18-17-13)6-3-7-20/h8,10,14,20H,2-7,9H2,1H3,(H,15,16)
InChIKeyNLXBQLNGGONZOC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.41
Rot. Bonds9

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

3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269517) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269517
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1[nH]ncc1CCCNCc1cn(CCCO)nn1
InChIInChI=1S/C13H22N6O/c1-11-12(8-15-16-11)4-2-5-14-9-13-10-19(18-17-13)6-3-7-20/h8,10,14,20H,2-7,9H2,1H3,(H,15,16)
InChIKeyNLXBQLNGGONZOC-UHFFFAOYSA-N
XLogP0.41
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268573
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
3-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66270247
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
3-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269290
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol (CID 66269517) is 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol is Cc1[nH]ncc1CCCNCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is NLXBQLNGGONZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-11-12(8-15-16-11)4-2-5-14-9-13-10-19(18-17-13)6-3-7-20/h8,10,14,20H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).