4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine

C15H18N6S — CID 70706090

IUPAC4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCn1cnnc1CC1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C15H18N6S/c1-20-10-18-19-13(20)8-11-2-5-21(6-3-11)15-14-12(4-7-22-14)16-9-17-15/h4,7,9-11H,2-3,5-6,8H2,1H3
InChIKeyVJXRKBGUAQZDJN-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.28
Rot. Bonds3

About 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 70706090) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID70706090
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCn1cnnc1CC1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C15H18N6S/c1-20-10-18-19-13(20)8-11-2-5-21(6-3-11)15-14-12(4-7-22-14)16-9-17-15/h4,7,9-11H,2-3,5-6,8H2,1H3
InChIKeyVJXRKBGUAQZDJN-UHFFFAOYSA-N
XLogP2.28
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 70706090) is 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine is Cn1cnnc1CC1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is VJXRKBGUAQZDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-20-10-18-19-13(20)8-11-2-5-21(6-3-11)15-14-12(4-7-22-14)16-9-17-15/h4,7,9-11H,2-3,5-6,8H2,1H3.
What are the key properties of 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 314.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 70706090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).