2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol

C9H18N4O — CID 115745052

IUPAC2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
SMILESCn1nncc1CNCC(C)(C)CO
InChIInChI=1S/C9H18N4O/c1-9(2,7-14)6-10-4-8-5-11-12-13(8)3/h5,10,14H,4,6-7H2,1-3H3
InChIKeyZHOMVIBBVTVMTM-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.08
Rot. Bonds5

About 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol

2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol (PubChem CID 115745052) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
PubChem CID115745052
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
SMILESCn1nncc1CNCC(C)(C)CO
InChIInChI=1S/C9H18N4O/c1-9(2,7-14)6-10-4-8-5-11-12-13(8)3/h5,10,14H,4,6-7H2,1-3H3
InChIKeyZHOMVIBBVTVMTM-UHFFFAOYSA-N
XLogP-0.08
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-Tert-butyltriazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 103527702
3-[4-[(2,2,2-Trifluoroethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270039
3-[4-[(3,3,3-Trifluoropropylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270497
2,2-Difluoro-3-[(1-methyltriazol-4-yl)methylamino]propan-1-ol
CID 104857357
2,2-Difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 104857539
2,2-Difluoro-3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 106172843
2,2-Difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol
CID 106173040
3-[4-[[[1-(Trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 106209939
3-[4-[(2,2,3,3-Tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol
CID 106289293
3-[(3-Methyltriazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109931981
3-[4-[(4,4,4-Trifluorobutylamino)methyl]triazol-1-yl]propan-1-ol
CID 113326915
3-[4-[(4,4,4-Trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 114130168

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol (CID 115745052) is 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol is Cn1nncc1CNCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol?
The InChIKey is ZHOMVIBBVTVMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,7-14)6-10-4-8-5-11-12-13(8)3/h5,10,14H,4,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol?
2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115745052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).