7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C11H9ClN4O — CID 65428049

IUPAC7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1occc1-c1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C11H9ClN4O/c1-6-8(3-4-17-6)11-15-14-10-5-9(12)13-7(2)16(10)11/h3-5H,1-2H3
InChIKeyYGBIIRWEXPNZRY-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.65
Rot. Bonds1

About 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65428049) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65428049
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1occc1-c1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C11H9ClN4O/c1-6-8(3-4-17-6)11-15-14-10-5-9(12)13-7(2)16(10)11/h3-5H,1-2H3
InChIKeyYGBIIRWEXPNZRY-UHFFFAOYSA-N
XLogP2.65
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-7-chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]pyrimidine
CID 9942767
N,7,8-trimethyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 132384367
N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 138997018
7-Chloro-3-(furan-2-yl)-5-(methylsulfanyl)[1,2,4]triazolo[4,3-c]pyrimidine
CID 18613700
7-Chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002324
2-(Furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 70003359
5,7-Dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86212333
5-Chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86212335
5,7-Dichloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 140009540
7-Chloro-3-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 157859103
1-[5-(Furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
CID 159985112
7-Chloro-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 160620479

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65428049) is 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1occc1-c1nnc2cc(Cl)nc(C)n12.
What is the InChIKey of 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is YGBIIRWEXPNZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-6-8(3-4-17-6)11-15-14-10-5-9(12)13-7(2)16(10)11/h3-5H,1-2H3.
What are the key properties of 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 248.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65428049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).