1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol

C9H14N6O — CID 107052776

IUPAC1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(Cc2cn(C)nn2)nn1
InChIInChI=1S/C9H14N6O/c1-3-9(16)8-6-15(13-11-8)5-7-4-14(2)12-10-7/h4,6,9,16H,3,5H2,1-2H3
InChIKeyGYFGHDPTRAIUQW-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.10
Rot. Bonds4

About 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol

1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol (PubChem CID 107052776) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
PubChem CID107052776
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(Cc2cn(C)nn2)nn1
InChIInChI=1S/C9H14N6O/c1-3-9(16)8-6-15(13-11-8)5-7-4-14(2)12-10-7/h4,6,9,16H,3,5H2,1-2H3
InChIKeyGYFGHDPTRAIUQW-UHFFFAOYSA-N
XLogP-0.10
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782
1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 107053748
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
CID 106456465
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
CID 114858232
2-amino-3-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107052617
(1-ethyltriazol-4-yl)methanediol
CID 170377100
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 107078682
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
CID 145288458
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107054715
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol (CID 107052776) is 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol is CCC(O)c1cn(Cc2cn(C)nn2)nn1.
What is the InChIKey of 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol?
The InChIKey is GYFGHDPTRAIUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-9(16)8-6-15(13-11-8)5-7-4-14(2)12-10-7/h4,6,9,16H,3,5H2,1-2H3.
What are the key properties of 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol?
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol has a molecular weight of 222.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 107052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).