[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol

C17H21N7O — CID 23536033

IUPAC[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESCC(C)(C)c1cc(Nc2ncnc(Nc3ccc(CO)cc3)n2)n[nH]1
InChIInChI=1S/C17H21N7O/c1-17(2,3)13-8-14(24-23-13)21-16-19-10-18-15(22-16)20-12-6-4-11(9-25)5-7-12/h4-8,10,25H,9H2,1-3H3,(H3,18,19,20,21,22,23,24)
InChIKeyOMVGSDUUFOAULF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.87
Rot. Bonds5

About [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol

[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol (PubChem CID 23536033) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
PubChem CID23536033
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESCC(C)(C)c1cc(Nc2ncnc(Nc3ccc(CO)cc3)n2)n[nH]1
InChIInChI=1S/C17H21N7O/c1-17(2,3)13-8-14(24-23-13)21-16-19-10-18-15(22-16)20-12-6-4-11(9-25)5-7-12/h4-8,10,25H,9H2,1-3H3,(H3,18,19,20,21,22,23,24)
InChIKeyOMVGSDUUFOAULF-UHFFFAOYSA-N
XLogP2.87
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol with MolForge

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 10111548
5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 68993437
N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 91050851
tert-butyl 2-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]acetate
CID 142226121
N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide
CID 23536569
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-ethylfuran-2-carboxamide
CID 47343724
4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 20607287
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The IUPAC name of [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol (CID 23536033) is [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol is CC(C)(C)c1cc(Nc2ncnc(Nc3ccc(CO)cc3)n2)n[nH]1.
What is the InChIKey of [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The InChIKey is OMVGSDUUFOAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-17(2,3)13-8-14(24-23-13)21-16-19-10-18-15(22-16)20-12-6-4-11(9-25)5-7-12/h4-8,10,25H,9H2,1-3H3,(H3,18,19,20,21,22,23,24).
What are the key properties of [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol has a molecular weight of 339.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 23536033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).