4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol

C9H10N4O — CID 110187289

IUPAC4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol
SMILESNc1n[nH]c(Cc2ccc(O)cc2)n1
InChIInChI=1S/C9H10N4O/c10-9-11-8(12-13-9)5-6-1-3-7(14)4-2-6/h1-4,14H,5H2,(H3,10,11,12,13)
InChIKeyIDQCMAADLKUFGE-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.68
Rot. Bonds2

About 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol

4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol (PubChem CID 110187289) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol
PubChem CID110187289
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol
SMILESNc1n[nH]c(Cc2ccc(O)cc2)n1
InChIInChI=1S/C9H10N4O/c10-9-11-8(12-13-9)5-6-1-3-7(14)4-2-6/h1-4,14H,5H2,(H3,10,11,12,13)
InChIKeyIDQCMAADLKUFGE-UHFFFAOYSA-N
XLogP0.68
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol?
The IUPAC name of 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol (CID 110187289) is 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol?
The canonical SMILES for 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol is Nc1n[nH]c(Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol?
The InChIKey is IDQCMAADLKUFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-9-11-8(12-13-9)5-6-1-3-7(14)4-2-6/h1-4,14H,5H2,(H3,10,11,12,13).
What are the key properties of 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol?
4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol has a molecular weight of 190.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]phenol is sourced from PubChem (CID 110187289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).