1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole

C16H12N6 — CID 123945024

IUPAC1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole
SMILESc1nc(C2=NN=N2)cc(-c2ccc3c(ccn3C3CC3)c2)n1
InChIInChI=1S/C16H12N6/c1-4-15-11(5-6-22(15)12-2-3-12)7-10(1)13-8-14(18-9-17-13)16-19-21-20-16/h1,4-9,12H,2-3H2
InChIKeyUPCLGMLIFULFOY-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.56
Rot. Bonds3

About 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole

1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole (PubChem CID 123945024) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole.

Molecular Properties

Compound Name1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole
PubChem CID123945024
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole
SMILESc1nc(C2=NN=N2)cc(-c2ccc3c(ccn3C3CC3)c2)n1
InChIInChI=1S/C16H12N6/c1-4-15-11(5-6-22(15)12-2-3-12)7-10(1)13-8-14(18-9-17-13)16-19-21-20-16/h1,4-9,12H,2-3H2
InChIKeyUPCLGMLIFULFOY-UHFFFAOYSA-N
XLogP3.56
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole?
The IUPAC name of 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole (CID 123945024) is 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole.
What is the SMILES notation for 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole?
The canonical SMILES for 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole is c1nc(C2=NN=N2)cc(-c2ccc3c(ccn3C3CC3)c2)n1.
What is the InChIKey of 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole?
The InChIKey is UPCLGMLIFULFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-4-15-11(5-6-22(15)12-2-3-12)7-10(1)13-8-14(18-9-17-13)16-19-21-20-16/h1,4-9,12H,2-3H2.
What are the key properties of 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole?
1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole has a molecular weight of 288.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole is sourced from PubChem (CID 123945024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).