7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile

C12H10N6O — CID 161139872

IUPAC7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
SMILESCc1nc2c(C#N)c(N)nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C12H10N6O/c1-6-3-4-9(19-6)12-16-10(14)8(5-13)11-15-7(2)17-18(11)12/h3-4H,14H2,1-2H3
InChIKeyUNHIIWBULNPNBP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.46
Rot. Bonds1

About 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile

7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile (PubChem CID 161139872) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
PubChem CID161139872
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
SMILESCc1nc2c(C#N)c(N)nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C12H10N6O/c1-6-3-4-9(19-6)12-16-10(14)8(5-13)11-15-7(2)17-18(11)12/h3-4H,14H2,1-2H3
InChIKeyUNHIIWBULNPNBP-UHFFFAOYSA-N
XLogP1.46
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
The IUPAC name of 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile (CID 161139872) is 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile.
What is the SMILES notation for 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
The canonical SMILES for 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile is Cc1nc2c(C#N)c(N)nc(-c3ccc(C)o3)n2n1.
What is the InChIKey of 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
The InChIKey is UNHIIWBULNPNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c1-6-3-4-9(19-6)12-16-10(14)8(5-13)11-15-7(2)17-18(11)12/h3-4H,14H2,1-2H3.
What are the key properties of 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile is sourced from PubChem (CID 161139872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).