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

C15H18N8OS — CID 70772964

IUPACN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nc(N)nc(N(C)C)n3)n[nH]2)s1
InChIInChI=1S/C15H18N8OS/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/h4-6H,7H2,1-3H3,(H,17,24)(H,21,22)(H2,16,18,19,20)
InChIKeyWTYNLBVODXVEEV-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.21
Rot. Bonds5

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

N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70772964) has the molecular formula C15H18N8OS and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID70772964
Molecular FormulaC15H18N8OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nc(N)nc(N(C)C)n3)n[nH]2)s1
InChIInChI=1S/C15H18N8OS/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/h4-6H,7H2,1-3H3,(H,17,24)(H,21,22)(H2,16,18,19,20)
InChIKeyWTYNLBVODXVEEV-UHFFFAOYSA-N
XLogP1.21
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 70772964) is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-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)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3nc(N)nc(N(C)C)n3)n[nH]2)s1.
What is the InChIKey of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WTYNLBVODXVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8OS/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/h4-6H,7H2,1-3H3,(H,17,24)(H,21,22)(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)-1H-pyrazole-3-carboxamide?
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 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)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70772964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).