amino-(5-methyl-2-phenyltriazol-4-yl)methanol

C10H12N4O — CID 166671413

IUPACamino-(5-methyl-2-phenyltriazol-4-yl)methanol
SMILESCc1nn(-c2ccccc2)nc1C(N)O
InChIInChI=1S/C10H12N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6,10,15H,11H2,1H3
InChIKeyIFIZSXIAQTYJCJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.53
Rot. Bonds2

About amino-(5-methyl-2-phenyltriazol-4-yl)methanol

amino-(5-methyl-2-phenyltriazol-4-yl)methanol (PubChem CID 166671413) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is amino-(5-methyl-2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Nameamino-(5-methyl-2-phenyltriazol-4-yl)methanol
PubChem CID166671413
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Nameamino-(5-methyl-2-phenyltriazol-4-yl)methanol
SMILESCc1nn(-c2ccccc2)nc1C(N)O
InChIInChI=1S/C10H12N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6,10,15H,11H2,1H3
InChIKeyIFIZSXIAQTYJCJ-UHFFFAOYSA-N
XLogP0.53
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
4-methyl-5-methylsulfanyl-2-phenyltriazole
CID 12815844
4-tert-butyl-5-methyl-2-phenyltriazole
CID 23529414
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
5-methyl-2-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174597828
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-benzyl-N-butan-2-yl-5-methyl-2-phenyltriazole-4-carboxamide
CID 43025121
N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 46550128
5-methyl-2-(4-methylphenyl)triazole-4-carboxylic acid
CID 1476841
2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
CID 2738923
(furan-2-carbonylamino) 5-methyl-2-phenyltriazole-4-carboxylate
CID 2797815

Frequently Asked Questions

What is the IUPAC name of amino-(5-methyl-2-phenyltriazol-4-yl)methanol?
The IUPAC name of amino-(5-methyl-2-phenyltriazol-4-yl)methanol (CID 166671413) is amino-(5-methyl-2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for amino-(5-methyl-2-phenyltriazol-4-yl)methanol?
The canonical SMILES for amino-(5-methyl-2-phenyltriazol-4-yl)methanol is Cc1nn(-c2ccccc2)nc1C(N)O.
What is the InChIKey of amino-(5-methyl-2-phenyltriazol-4-yl)methanol?
The InChIKey is IFIZSXIAQTYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6,10,15H,11H2,1H3.
What are the key properties of amino-(5-methyl-2-phenyltriazol-4-yl)methanol?
amino-(5-methyl-2-phenyltriazol-4-yl)methanol has a molecular weight of 204.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(5-methyl-2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 166671413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).