[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate

C13H19N7O2 — CID 30657196

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)n[nH]1
InChIInChI=1S/C13H19N7O2/c1-4-5-8-6-9(19-18-8)11(21)22-7-10-15-12(14)17-13(16-10)20(2)3/h6H,4-5,7H2,1-3H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDKWRDYGARKJEMR-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.55
Rot. Bonds6

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 30657196) has the molecular formula C13H19N7O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID30657196
Molecular FormulaC13H19N7O2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)n[nH]1
InChIInChI=1S/C13H19N7O2/c1-4-5-8-6-9(19-18-8)11(21)22-7-10-15-12(14)17-13(16-10)20(2)3/h6H,4-5,7H2,1-3H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDKWRDYGARKJEMR-UHFFFAOYSA-N
XLogP0.55
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate (CID 30657196) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)n[nH]1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is DKWRDYGARKJEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2/c1-4-5-8-6-9(19-18-8)11(21)22-7-10-15-12(14)17-13(16-10)20(2)3/h6H,4-5,7H2,1-3H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 30657196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).