2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine

C19H14N8O2 — CID 23536654

IUPAC2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESc1cc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc(-c2cnco2)c1
InChIInChI=1S/C19H14N8O2/c1-3-12(16-9-20-11-29-16)7-13(4-1)23-18-21-10-22-19(25-18)24-17-8-14(26-27-17)15-5-2-6-28-15/h1-11H,(H3,21,22,23,24,25,26,27)
InChIKeyUDFFRXBMFXAIMJ-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.00
Rot. Bonds6

About 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 23536654) has the molecular formula C19H14N8O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID23536654
Molecular FormulaC19H14N8O2
Molecular Weight386.38 g/mol
Exact Mass386.12
IUPAC Name2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESc1cc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc(-c2cnco2)c1
InChIInChI=1S/C19H14N8O2/c1-3-12(16-9-20-11-29-16)7-13(4-1)23-18-21-10-22-19(25-18)24-17-8-14(26-27-17)15-5-2-6-28-15/h1-11H,(H3,21,22,23,24,25,26,27)
InChIKeyUDFFRXBMFXAIMJ-UHFFFAOYSA-N
XLogP4.00
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 10791347
Ethyl 2-[4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]carbamoylamino]phenyl]acetate
CID 11282593
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
N-[3-(5-oxazolyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-2-pyrimidinamine
CID 10172326
1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 10505816
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670
4-(Furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015494
1-(3-Aminobenzyl)-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015499
1-[(2-Aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015508
1-(furan-2-ylmethyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
CID 137652151

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine (CID 23536654) is 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine is c1cc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc(-c2cnco2)c1.
What is the InChIKey of 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UDFFRXBMFXAIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O2/c1-3-12(16-9-20-11-29-16)7-13(4-1)23-18-21-10-22-19(25-18)24-17-8-14(26-27-17)15-5-2-6-28-15/h1-11H,(H3,21,22,23,24,25,26,27).
What are the key properties of 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 386.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).