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

C10H13N5O — CID 123682026

IUPAC3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol
SMILESCc1c(O)cccc1Nc1nnc(N)n1C
InChIInChI=1S/C10H13N5O/c1-6-7(4-3-5-8(6)16)12-10-14-13-9(11)15(10)2/h3-5,16H,1-2H3,(H2,11,13)(H,12,14)
InChIKeyIMFAFSBUFBFLFI-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.15
Rot. Bonds2

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

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol (PubChem CID 123682026) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol.

Molecular Properties

Compound Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol
PubChem CID123682026
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol
SMILESCc1c(O)cccc1Nc1nnc(N)n1C
InChIInChI=1S/C10H13N5O/c1-6-7(4-3-5-8(6)16)12-10-14-13-9(11)15(10)2/h3-5,16H,1-2H3,(H2,11,13)(H,12,14)
InChIKeyIMFAFSBUFBFLFI-UHFFFAOYSA-N
XLogP1.15
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol?
The IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol (CID 123682026) is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol.
What is the SMILES notation for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol?
The canonical SMILES for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol is Cc1c(O)cccc1Nc1nnc(N)n1C.
What is the InChIKey of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol?
The InChIKey is IMFAFSBUFBFLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6-7(4-3-5-8(6)16)12-10-14-13-9(11)15(10)2/h3-5,16H,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol?
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol has a molecular weight of 219.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol is sourced from PubChem (CID 123682026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).