N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide

C19H18N8O2 — CID 23536569

IUPACN-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1
InChIInChI=1S/C19H18N8O2/c1-27(12-28)10-13-4-6-14(7-5-13)22-18-20-11-21-19(24-18)23-17-9-15(25-26-17)16-3-2-8-29-16/h2-9,11-12H,10H2,1H3,(H3,20,21,22,23,24,25,26)
InChIKeyVYOUTGUISNBMCT-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.93
Rot. Bonds8

About N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide

N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide (PubChem CID 23536569) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide
PubChem CID23536569
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1
InChIInChI=1S/C19H18N8O2/c1-27(12-28)10-13-4-6-14(7-5-13)22-18-20-11-21-19(24-18)23-17-9-15(25-26-17)16-3-2-8-29-16/h2-9,11-12H,10H2,1H3,(H3,20,21,22,23,24,25,26)
InChIKeyVYOUTGUISNBMCT-UHFFFAOYSA-N
XLogP2.93
TPSA124.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide?
The IUPAC name of 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) is N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide.
What is the SMILES notation for N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide?
The canonical SMILES for N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide is CN(C=O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1.
What is the InChIKey of N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide?
The InChIKey is VYOUTGUISNBMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-27(12-28)10-13-4-6-14(7-5-13)22-18-20-11-21-19(24-18)23-17-9-15(25-26-17)16-3-2-8-29-16/h2-9,11-12H,10H2,1H3,(H3,20,21,22,23,24,25,26).
What are the key properties of N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide?
N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide has a molecular weight of 390.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]-N-methylformamide is sourced from PubChem (CID 23536569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).