2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile

C15H15N7 — CID 58475821

IUPAC2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile
SMILESCc1nc2c3cc(C#N)ccc3nc(N3CCNCC3)n2n1
InChIInChI=1S/C15H15N7/c1-10-18-14-12-8-11(9-16)2-3-13(12)19-15(22(14)20-10)21-6-4-17-5-7-21/h2-3,8,17H,4-7H2,1H3
InChIKeyXNNZJVYAOXRFQO-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.87
Rot. Bonds1

About 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile

2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile (PubChem CID 58475821) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile
PubChem CID58475821
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile
SMILESCc1nc2c3cc(C#N)ccc3nc(N3CCNCC3)n2n1
InChIInChI=1S/C15H15N7/c1-10-18-14-12-8-11(9-16)2-3-13(12)19-15(22(14)20-10)21-6-4-17-5-7-21/h2-3,8,17H,4-7H2,1H3
InChIKeyXNNZJVYAOXRFQO-UHFFFAOYSA-N
XLogP0.87
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile?
The IUPAC name of 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile (CID 58475821) is 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile is Cc1nc2c3cc(C#N)ccc3nc(N3CCNCC3)n2n1.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile?
The InChIKey is XNNZJVYAOXRFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c1-10-18-14-12-8-11(9-16)2-3-13(12)19-15(22(14)20-10)21-6-4-17-5-7-21/h2-3,8,17H,4-7H2,1H3.
What are the key properties of 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile?
2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile is sourced from PubChem (CID 58475821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).