7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H15N7OS — CID 2505294

IUPAC7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3nnc(CC(C)C)s3)nn12
InChIInChI=1S/C13H15N7OS/c1-7(2)6-9-17-18-13(22-9)16-11(21)10-15-12-14-5-4-8(3)20(12)19-10/h4-5,7H,6H2,1-3H3,(H,16,18,21)
InChIKeyUAGNFVLULTVRTA-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.74
Rot. Bonds4

About 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2505294) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2505294
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3nnc(CC(C)C)s3)nn12
InChIInChI=1S/C13H15N7OS/c1-7(2)6-9-17-18-13(22-9)16-11(21)10-15-12-14-5-4-8(3)20(12)19-10/h4-5,7H,6H2,1-3H3,(H,16,18,21)
InChIKeyUAGNFVLULTVRTA-UHFFFAOYSA-N
XLogP1.74
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2505294) is 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3nnc(CC(C)C)s3)nn12.
What is the InChIKey of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UAGNFVLULTVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-7(2)6-9-17-18-13(22-9)16-11(21)10-15-12-14-5-4-8(3)20(12)19-10/h4-5,7H,6H2,1-3H3,(H,16,18,21).
What are the key properties of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 317.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2505294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).