2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine

C8H7F2N5O — CID 175952474

IUPAC2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(-n2cc(C(F)F)nn2)n1
InChIInChI=1S/C8H7F2N5O/c1-16-6-2-3-11-8(12-6)15-4-5(7(9)10)13-14-15/h2-4,7H,1H3
InChIKeyVMESQGJZKOONAK-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.00
Rot. Bonds3

About 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine

2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine (PubChem CID 175952474) has the molecular formula C8H7F2N5O and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine
PubChem CID175952474
Molecular FormulaC8H7F2N5O
Molecular Weight227.17 g/mol
Exact Mass227.06
IUPAC Name2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(-n2cc(C(F)F)nn2)n1
InChIInChI=1S/C8H7F2N5O/c1-16-6-2-3-11-8(12-6)15-4-5(7(9)10)13-14-15/h2-4,7H,1H3
InChIKeyVMESQGJZKOONAK-UHFFFAOYSA-N
XLogP1.00
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine (CID 175952474) is 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine is COc1ccnc(-n2cc(C(F)F)nn2)n1.
What is the InChIKey of 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine?
The InChIKey is VMESQGJZKOONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5O/c1-16-6-2-3-11-8(12-6)15-4-5(7(9)10)13-14-15/h2-4,7H,1H3.
What are the key properties of 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine?
2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine has a molecular weight of 227.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)triazol-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 175952474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).