N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine

C17H18N8S — CID 91787852

IUPACN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1c(Cn2cccn2)nnc1C1CC(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C17H18N8S/c1-24-14(9-25-5-2-4-20-25)22-23-17(24)11-7-12(8-11)21-16-15-13(3-6-26-15)18-10-19-16/h2-6,10-12H,7-9H2,1H3,(H,18,19,21)
InChIKeyLQBUSUQGZQPEFB-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.42
Rot. Bonds5

About N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine

N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 91787852) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID91787852
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1c(Cn2cccn2)nnc1C1CC(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C17H18N8S/c1-24-14(9-25-5-2-4-20-25)22-23-17(24)11-7-12(8-11)21-16-15-13(3-6-26-15)18-10-19-16/h2-6,10-12H,7-9H2,1H3,(H,18,19,21)
InChIKeyLQBUSUQGZQPEFB-UHFFFAOYSA-N
XLogP2.42
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine (CID 91787852) is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine is Cn1c(Cn2cccn2)nnc1C1CC(Nc2ncnc3ccsc23)C1.
What is the InChIKey of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LQBUSUQGZQPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-24-14(9-25-5-2-4-20-25)22-23-17(24)11-7-12(8-11)21-16-15-13(3-6-26-15)18-10-19-16/h2-6,10-12H,7-9H2,1H3,(H,18,19,21).
What are the key properties of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine?
N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 366.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 91787852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).