1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile

C12H13N5 — CID 84791467

IUPAC1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
SMILESCc1nc2nc(C3(C#N)CC3)nn2c(C)c1C
InChIInChI=1S/C12H13N5/c1-7-8(2)14-11-15-10(12(6-13)4-5-12)16-17(11)9(7)3/h4-5H2,1-3H3
InChIKeyCQXBKEKHUSGJCM-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.60
Rot. Bonds1

About 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile

1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile (PubChem CID 84791467) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
PubChem CID84791467
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
SMILESCc1nc2nc(C3(C#N)CC3)nn2c(C)c1C
InChIInChI=1S/C12H13N5/c1-7-8(2)14-11-15-10(12(6-13)4-5-12)16-17(11)9(7)3/h4-5H2,1-3H3
InChIKeyCQXBKEKHUSGJCM-UHFFFAOYSA-N
XLogP1.60
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile (CID 84791467) is 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile is Cc1nc2nc(C3(C#N)CC3)nn2c(C)c1C.
What is the InChIKey of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is CQXBKEKHUSGJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-7-8(2)14-11-15-10(12(6-13)4-5-12)16-17(11)9(7)3/h4-5H2,1-3H3.
What are the key properties of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84791467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).