[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol

C13H18N4O — CID 114212993

IUPAC[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N4O/c1-4-17-12(9-14-15-17)13(18)10-5-7-11(8-6-10)16(2)3/h5-9,13,18H,4H2,1-3H3
InChIKeyDQWMFYGDNQPHDK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds4

About [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol

[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol (PubChem CID 114212993) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol
PubChem CID114212993
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N4O/c1-4-17-12(9-14-15-17)13(18)10-5-7-11(8-6-10)16(2)3/h5-9,13,18H,4H2,1-3H3
InChIKeyDQWMFYGDNQPHDK-UHFFFAOYSA-N
XLogP1.45
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114213050
(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol (CID 114212993) is [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol is CCn1nncc1C(O)c1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol?
The InChIKey is DQWMFYGDNQPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-17-12(9-14-15-17)13(18)10-5-7-11(8-6-10)16(2)3/h5-9,13,18H,4H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol?
[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol has a molecular weight of 246.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 114212993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).