5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H18F3N7 — CID 72913401

IUPAC5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(-c2nc(CC3CC3)nn2CC(F)(F)F)nc2ncnn12
InChIInChI=1S/C16H18F3N7/c1-9(2)12-6-11(22-15-20-8-21-26(12)15)14-23-13(5-10-3-4-10)24-25(14)7-16(17,18)19/h6,8-10H,3-5,7H2,1-2H3
InChIKeyMIBPVCNRMZJHHN-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.02
Rot. Bonds5

About 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 72913401) has the molecular formula C16H18F3N7 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID72913401
Molecular FormulaC16H18F3N7
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Name5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(-c2nc(CC3CC3)nn2CC(F)(F)F)nc2ncnn12
InChIInChI=1S/C16H18F3N7/c1-9(2)12-6-11(22-15-20-8-21-26(12)15)14-23-13(5-10-3-4-10)24-25(14)7-16(17,18)19/h6,8-10H,3-5,7H2,1-2H3
InChIKeyMIBPVCNRMZJHHN-UHFFFAOYSA-N
XLogP3.02
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 72913401) is 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1cc(-c2nc(CC3CC3)nn2CC(F)(F)F)nc2ncnn12.
What is the InChIKey of 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MIBPVCNRMZJHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c1-9(2)12-6-11(22-15-20-8-21-26(12)15)14-23-13(5-10-3-4-10)24-25(14)7-16(17,18)19/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 365.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72913401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).