(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol

C10H11N3O — CID 59330649

IUPAC(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
SMILESCn1cnc(C(O)c2ccccc2)n1
InChIInChI=1S/C10H11N3O/c1-13-7-11-10(12-13)9(14)8-5-3-2-4-6-8/h2-7,9,14H,1H3
InChIKeyDHVIOJSTMQKEMQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.90
Rot. Bonds2

About (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol

(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol (PubChem CID 59330649) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
PubChem CID59330649
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
SMILESCn1cnc(C(O)c2ccccc2)n1
InChIInChI=1S/C10H11N3O/c1-13-7-11-10(12-13)9(14)8-5-3-2-4-6-8/h2-7,9,14H,1H3
InChIKeyDHVIOJSTMQKEMQ-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 167959209
phenyl-(1-propan-2-ylimidazol-2-yl)methanol
CID 83392922
[[hydroxy(phenyl)methyl]-dimethylsilyl]-phenylmethanol
CID 150347911
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
CID 3116449
(R)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
CID 760368
3-(1-methoxyethyl)-1-methyl-1,2,4-triazole
CID 175359877
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol (CID 59330649) is (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol is Cn1cnc(C(O)c2ccccc2)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol?
The InChIKey is DHVIOJSTMQKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-7-11-10(12-13)9(14)8-5-3-2-4-6-8/h2-7,9,14H,1H3.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol?
(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol has a molecular weight of 189.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)-phenylmethanol is sourced from PubChem (CID 59330649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).