2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol

C10H20N4O — CID 50958564

IUPAC2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol
SMILESCc1nc(C)n(CCCNC(C)CO)n1
InChIInChI=1S/C10H20N4O/c1-8(7-15)11-5-4-6-14-10(3)12-9(2)13-14/h8,11,15H,4-7H2,1-3H3
InChIKeyNKZSFYMANRGKNV-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.26
Rot. Bonds6

About 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol

2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol (PubChem CID 50958564) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol
PubChem CID50958564
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol
SMILESCc1nc(C)n(CCCNC(C)CO)n1
InChIInChI=1S/C10H20N4O/c1-8(7-15)11-5-4-6-14-10(3)12-9(2)13-14/h8,11,15H,4-7H2,1-3H3
InChIKeyNKZSFYMANRGKNV-UHFFFAOYSA-N
XLogP0.26
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72886104
4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
1,1-Difluoro-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105645152
1-[(1,5-dimethyl-1H-1,2,4-triazol-3-yl)amino]-3-fluoropropan-2-ol
CID 165604756
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-YL)-1-propanol
CID 45791173
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
(5-Methyl-1-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 68355365
2-(3-Amino-5-methyl-1,2,4-triazol-1-yl)ethanol
CID 79521269
[5-(1-Iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 123191696
2-(3-Azido-5-ethyl-1,2,4-triazol-1-yl)ethanol
CID 137465706
2-[5-(2-Aminoethyl)-1,2,4-triazol-1-yl]ethanol
CID 150973051
1-(5-Amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane
CID 156722464

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol?
The IUPAC name of 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol (CID 50958564) is 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol?
The canonical SMILES for 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol is Cc1nc(C)n(CCCNC(C)CO)n1.
What is the InChIKey of 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol?
The InChIKey is NKZSFYMANRGKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(7-15)11-5-4-6-14-10(3)12-9(2)13-14/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol?
2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol is sourced from PubChem (CID 50958564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).