[1-(4-methylundecyl)triazol-4-yl]methanol

C15H29N3O — CID 174977767

IUPAC[1-(4-methylundecyl)triazol-4-yl]methanol
SMILESCCCCCCCC(C)CCCn1cc(CO)nn1
InChIInChI=1S/C15H29N3O/c1-3-4-5-6-7-9-14(2)10-8-11-18-12-15(13-19)16-17-18/h12,14,19H,3-11,13H2,1-2H3
InChIKeyXJCXMEUBQFPDHN-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.55
Rot. Bonds11

About [1-(4-methylundecyl)triazol-4-yl]methanol

[1-(4-methylundecyl)triazol-4-yl]methanol (PubChem CID 174977767) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [1-(4-methylundecyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylundecyl)triazol-4-yl]methanol
PubChem CID174977767
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[1-(4-methylundecyl)triazol-4-yl]methanol
SMILESCCCCCCCC(C)CCCn1cc(CO)nn1
InChIInChI=1S/C15H29N3O/c1-3-4-5-6-7-9-14(2)10-8-11-18-12-15(13-19)16-17-18/h12,14,19H,3-11,13H2,1-2H3
InChIKeyXJCXMEUBQFPDHN-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
2-[2-(1-octyltriazol-4-yl)ethyl]propane-1,3-diol
CID 175884654
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
4-heptyl-1-octyltriazole
CID 146568784
1,4-dioctyltriazole
CID 22628762
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
1-[1-(5-hexyldodecyl)triazol-4-yl]-4-methylheptan-3-one
CID 138737600
2-amino-2-[(1-hexadecyltriazol-4-yl)methyl]propane-1,3-diol
CID 122701112
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
[1-hydroxy-2-(hydroxymethyl)-3-(1-octadecyltriazol-4-yl)propan-2-yl]azanium chloride
CID 160917861

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylundecyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-methylundecyl)triazol-4-yl]methanol (CID 174977767) is [1-(4-methylundecyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylundecyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylundecyl)triazol-4-yl]methanol is CCCCCCCC(C)CCCn1cc(CO)nn1.
What is the InChIKey of [1-(4-methylundecyl)triazol-4-yl]methanol?
The InChIKey is XJCXMEUBQFPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-4-5-6-7-9-14(2)10-8-11-18-12-15(13-19)16-17-18/h12,14,19H,3-11,13H2,1-2H3.
What are the key properties of [1-(4-methylundecyl)triazol-4-yl]methanol?
[1-(4-methylundecyl)triazol-4-yl]methanol has a molecular weight of 267.42 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylundecyl)triazol-4-yl]methanol is sourced from PubChem (CID 174977767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).