N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide

C15H22N8OS — CID 134067480

IUPACN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)NCc3nc(N)nc(N(C)C)n3)NN2)s1
InChIInChI=1S/C15H22N8OS/c1-8-4-5-11(25-8)9-6-10(22-21-9)13(24)17-7-12-18-14(16)20-15(19-12)23(2)3/h4-5,9-10,21-22H,6-7H2,1-3H3,(H,17,24)(H2,16,18,19,20)
InChIKeyARGBBLUNIFXLAT-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.11
Rot. Bonds5

About N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide

N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide (PubChem CID 134067480) has the molecular formula C15H22N8OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide
PubChem CID134067480
Molecular FormulaC15H22N8OS
Molecular Weight362.46 g/mol
Exact Mass362.16
IUPAC NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)NCc3nc(N)nc(N(C)C)n3)NN2)s1
InChIInChI=1S/C15H22N8OS/c1-8-4-5-11(25-8)9-6-10(22-21-9)13(24)17-7-12-18-14(16)20-15(19-12)23(2)3/h4-5,9-10,21-22H,6-7H2,1-3H3,(H,17,24)(H2,16,18,19,20)
InChIKeyARGBBLUNIFXLAT-UHFFFAOYSA-N
XLogP0.11
TPSA121.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide (CID 134067480) is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide is Cc1ccc(C2CC(C(=O)NCc3nc(N)nc(N(C)C)n3)NN2)s1.
What is the InChIKey of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide?
The InChIKey is ARGBBLUNIFXLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8OS/c1-8-4-5-11(25-8)9-6-10(22-21-9)13(24)17-7-12-18-14(16)20-15(19-12)23(2)3/h4-5,9-10,21-22H,6-7H2,1-3H3,(H,17,24)(H2,16,18,19,20).
What are the key properties of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide?
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134067480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).