2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole

C15H17N7S — CID 71547384

IUPAC2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nc(C2CC2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C15H17N7S/c1-7-17-13(11-5-12(11)15-20-19-10(4)23-15)6-14(18-7)22-9(3)16-8(2)21-22/h6,11-12H,5H2,1-4H3
InChIKeyZCJVIWWSDNFKPN-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole

2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 71547384) has the molecular formula C15H17N7S and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole
PubChem CID71547384
Molecular FormulaC15H17N7S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nc(C2CC2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C15H17N7S/c1-7-17-13(11-5-12(11)15-20-19-10(4)23-15)6-14(18-7)22-9(3)16-8(2)21-22/h6,11-12H,5H2,1-4H3
InChIKeyZCJVIWWSDNFKPN-UHFFFAOYSA-N
XLogP2.41
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole (CID 71547384) is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole is Cc1nc(C2CC2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1.
What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is ZCJVIWWSDNFKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7S/c1-7-17-13(11-5-12(11)15-20-19-10(4)23-15)6-14(18-7)22-9(3)16-8(2)21-22/h6,11-12H,5H2,1-4H3.
What are the key properties of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole?
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 327.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 71547384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).