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

C12H24N4O2 — CID 110936162

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1nnc(CN(C)CC(O)COC(C)C)n1C
InChIInChI=1S/C12H24N4O2/c1-9(2)18-8-11(17)6-15(4)7-12-14-13-10(3)16(12)5/h9,11,17H,6-8H2,1-5H3
InChIKeyZQYUASCHEPEFJF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.34
Rot. Bonds7

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

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 110936162) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID110936162
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1nnc(CN(C)CC(O)COC(C)C)n1C
InChIInChI=1S/C12H24N4O2/c1-9(2)18-8-11(17)6-15(4)7-12-14-13-10(3)16(12)5/h9,11,17H,6-8H2,1-5H3
InChIKeyZQYUASCHEPEFJF-UHFFFAOYSA-N
XLogP0.34
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-(3,5-dimethylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936161
1-(4-tert-butylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936164
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110936166
methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-methylpropanoate
CID 61235969
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine
CID 156857462
1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936174
1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111613528
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol (CID 110936162) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol is Cc1nnc(CN(C)CC(O)COC(C)C)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ZQYUASCHEPEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)18-8-11(17)6-15(4)7-12-14-13-10(3)16(12)5/h9,11,17H,6-8H2,1-5H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 110936162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).